All Chemical Compounds Information

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Product OPENEYE NAME: 3-bromo-N2-[2-(dimethylamino)ethyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[2-(dimethylamino)ethyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-[2-(dimethylamino)ethyl]-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-[2-(dimethylamino)ethyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C17H19BrN6
MOLECULAR WEIGHT: 387.27696
SMILES: CN(C)CCNC1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 3-bromo-N2-[3-(dimethylamino)propyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[3-(dimethylamino)propyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-[3-(dimethylamino)propyl]-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-[3-(dimethylamino)propyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C18H21BrN6
MOLECULAR WEIGHT: 401.30354
SMILES: CN(C)CCCNC1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: N-(3-bromo-2-methoxy-phenyl)pyrido[4,3-d]pyrimidin-4-amine
CAS Name: N-(3-bromo-2-methoxyphenyl)-4-pyrido[4,3-d]pyrimidinamine
IUPAC NAME: N-(3-bromo-2-methoxyphenyl)pyrido[4,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-(3-bromanyl-2-methoxy-phenyl)pyrido[4,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C14H11BrN4O
MOLECULAR WEIGHT: 331.16734
SMILES: COC1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: N-(3-bromo-2-fluoro-phenyl)pyrido[4,3-d]pyrimidin-4-amine
CAS Name: N-(3-bromo-2-fluorophenyl)-4-pyrido[4,3-d]pyrimidinamine
IUPAC NAME: N-(3-bromo-2-fluorophenyl)pyrido[4,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-(3-bromanyl-2-fluoranyl-phenyl)pyrido[4,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C13H8BrFN4
MOLECULAR WEIGHT: 319.131823
SMILES: C1=CC(=C(C(=C1)Br)F)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: (2S)-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]-2-[3-(1-piperidyl)propanoylamino]nonanamide
CAS Name: (2S)-8-oxo-2-[[1-oxo-3-(1-piperidinyl)propyl]amino]-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
IUPAC NAME: (2S)-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]-2-(3-piperidin-1-ylpropanoylamino)nonanamide
SYSTEMATIC NAME: (2S)-8-oxidanylidene-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]-2-(3-piperidin-1-ylpropanoylamino)nonanamide
MOLECULAR FORMULA: C33H44N4O3
MOLECULAR WEIGHT: 544.72746
SMILES: CC(=O)CCCCC[C@@H](C(=O)NCCC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)NC(=O)CCN4CCCCC4
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Product OPENEYE NAME: (4-chlorophenyl)-[3-[[3-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
CAS Name: (4-chlorophenyl)-[3-[[3-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
IUPAC NAME: (4-chlorophenyl)-[3-[[3-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
SYSTEMATIC NAME: (4-chlorophenyl)-[3-[[3-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
MOLECULAR FORMULA: C30H33ClN2O3
MOLECULAR WEIGHT: 505.04762
SMILES: COC1=CC=CC=C1OC2=CC=CC(=C2)CN3CCC4(CC3)CCN(CC4)C(=O)C5=CC=C(C=C5)Cl
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Product OPENEYE NAME: N-(2-aminophenyl)-4-[(E)-3-(3,4,5-trimethoxyanilino)prop-1-enyl]benzamide
CAS Name: N-(2-aminophenyl)-4-[(E)-3-(3,4,5-trimethoxyanilino)prop-1-enyl]benzamide
IUPAC NAME: N-(2-aminophenyl)-4-[(E)-3-(3,4,5-trimethoxyanilino)prop-1-enyl]benzamide
SYSTEMATIC NAME: N-(2-aminophenyl)-4-[(E)-3-[(3,4,5-trimethoxyphenyl)amino]prop-1-enyl]benzamide
MOLECULAR FORMULA: C25H27N3O4
MOLECULAR WEIGHT: 433.49958
SMILES: COC1=CC(=CC(=C1OC)OC)NC/C=C/C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N
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Product OPENEYE NAME: 3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]benzoic acid
CAS Name: 3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]benzoic acid
IUPAC NAME: 3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]benzoic acid
SYSTEMATIC NAME: 3-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]benzoic acid
MOLECULAR FORMULA: C25H31ClN2O4
MOLECULAR WEIGHT: 458.97764
SMILES: C1CN(CCC1CN2CCC(CC2)OC3=CC(=C(C=C3)CO)Cl)C4=CC=CC(=C4)C(=O)O
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Product OPENEYE NAME: 5-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]-2-methyl-pyridine-3-carboxylic acid
CAS Name: 5-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]-2-methyl-3-pyridinecarboxylic acid
IUPAC NAME: 5-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-2-methylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 5-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-2-methyl-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C25H32ClN3O4
MOLECULAR WEIGHT: 473.99228
SMILES: CC1=NC=C(C=C1C(=O)O)N2CCC(CC2)CN3CCC(CC3)OC4=CC(=C(C=C4)CO)Cl
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Product OPENEYE NAME: (E)-3-(3,4-dichlorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CAS Name: (E)-3-(3,4-dichlorophenyl)-1-(2,4,6-trimethoxyphenyl)-2-propen-1-one
IUPAC NAME: (E)-3-(3,4-dichlorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(3,4-dichlorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C18H16Cl2O4
MOLECULAR WEIGHT: 367.22324
SMILES: COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl)OC
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Product OPENEYE NAME: (E)-3-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]prop-2-enehydroxamic acid
CAS Name: (E)-3-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-N-hydroxy-2-propenamide
IUPAC NAME: (E)-3-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-N-hydroxyprop-2-enamide
SYSTEMATIC NAME: (E)-3-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-N-oxidanyl-prop-2-enamide
MOLECULAR FORMULA: C18H17N3O2
MOLECULAR WEIGHT: 307.34648
SMILES: C1=CC=C2C(=C1)NC(=N2)CCC3=CC=C(C=C3)/C=C/C(=O)NO
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All Chemical Compounds Information

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Product OPENEYE NAME: [3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-(4-pyridyl)methanone
CAS Name: [3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone
IUPAC NAME: [3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone
SYSTEMATIC NAME: [3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-yl-methanone
MOLECULAR FORMULA: C28H31N3O2
MOLECULAR WEIGHT: 441.56464
SMILES: C1CN(CCC12CCN(CC2)C(=O)C3=CC=NC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5
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Product OPENEYE NAME: N-phenyl-6-[(2-sulfanylethanethioyl)amino]hexanamide
CAS Name: 6-[(2-mercapto-1-sulfanylideneethyl)amino]-N-phenylhexanamide
IUPAC NAME: N-phenyl-6-[(2-sulfanylethanethioyl)amino]hexanamide
SYSTEMATIC NAME: N-phenyl-6-(2-sulfanylethanethioylamino)hexanamide
MOLECULAR FORMULA: C14H20N2OS2
MOLECULAR WEIGHT: 296.4514
SMILES: C1=CC=C(C=C1)NC(=O)CCCCCNC(=S)CS
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Product OPENEYE NAME: 8-(hydroxyamino)-N-phenyl-8-thioxo-octanamide
CAS Name: 8-(hydroxyamino)-N-phenyl-8-sulfanylideneoctanamide
IUPAC NAME: 8-(hydroxyamino)-N-phenyl-8-sulfanylideneoctanamide
SYSTEMATIC NAME: 8-(oxidanylamino)-N-phenyl-8-sulfanylidene-octanamide
MOLECULAR FORMULA: C14H20N2O2S
MOLECULAR WEIGHT: 280.3858
SMILES: C1=CC=C(C=C1)NC(=O)CCCCCCC(=S)NO
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Product OPENEYE NAME: 6-(benzenesulfonamido)benzothiophene-2-carbohydroxamic acid
CAS Name: 6-(benzenesulfonamido)-N-hydroxy-1-benzothiophene-2-carboxamide
IUPAC NAME: 6-(benzenesulfonamido)-N-hydroxy-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: N-oxidanyl-6-(phenylsulfonylamino)-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C15H12N2O4S2
MOLECULAR WEIGHT: 348.39678
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C=C(S3)C(=O)NO
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Product OPENEYE NAME: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]acetic acid
CAS Name: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]acetic acid
IUPAC NAME: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
SYSTEMATIC NAME: 2-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]ethanoic acid
MOLECULAR FORMULA: C20H29ClN2O4
MOLECULAR WEIGHT: 396.90826
SMILES: C1CN(CCC1CN2CCC(CC2)OC3=CC(=C(C=C3)CO)Cl)CC(=O)O
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Product OPENEYE NAME: 4-(3-acetyl-1-phenyl-pyrazole-4-carbonyl)-5-methyl-N,1-diphenyl-pyrazole-3-carboxamide
CAS Name: 4-[(3-acetyl-1-phenyl-4-pyrazolyl)-oxomethyl]-5-methyl-N,1-diphenyl-3-pyrazolecarboxamide
IUPAC NAME: 4-(3-acetyl-1-phenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide
SYSTEMATIC NAME: 4-(3-ethanoyl-1-phenyl-pyrazol-4-yl)carbonyl-5-methyl-N,1-diphenyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C29H23N5O3
MOLECULAR WEIGHT: 489.52462
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C(=O)C4=CN(N=C4C(=O)C)C5=CC=CC=C5
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Product OPENEYE NAME: N-[(Z)-[2-chloro-6-(2,5-dimethoxy-4-nitro-phenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]pyridin-2-amine
CAS Name: N-[(Z)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)-5-imidazo[2,1-b]thiazolyl]methylideneamino]-2-pyridinamine
IUPAC NAME: N-[(Z)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine
SYSTEMATIC NAME: N-[(Z)-[2-chloranyl-6-(2,5-dimethoxy-4-nitro-phenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine
MOLECULAR FORMULA: C19H15ClN6O4S
MOLECULAR WEIGHT: 458.8782
SMILES: COC1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)/C=N\NC4=CC=CC=N4)OC)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(5,6-dinitrooxyhexanoyloxy)benzoic acid
CAS Name: 2-(5,6-dinitrooxy-1-oxohexoxy)benzoic acid
IUPAC NAME: 2-(5,6-dinitrooxyhexanoyloxy)benzoic acid
SYSTEMATIC NAME: 2-(5,6-dinitrooxyhexanoyloxy)benzoic acid
MOLECULAR FORMULA: C13H14N2O10
MOLECULAR WEIGHT: 358.25766
SMILES: C1=CC=C(C(=C1)C(=O)O)OC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-]
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Product OPENEYE NAME: 8-[4-(4-chlorophenyl)piperazin-1-yl]-8-oxo-octanehydroxamic acid
CAS Name: 8-[4-(4-chlorophenyl)-1-piperazinyl]-N-hydroxy-8-oxooctanamide
IUPAC NAME: 8-[4-(4-chlorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide
SYSTEMATIC NAME: 8-[4-(4-chlorophenyl)piperazin-1-yl]-N-oxidanyl-8-oxidanylidene-octanamide
MOLECULAR FORMULA: C18H26ClN3O3
MOLECULAR WEIGHT: 367.87034
SMILES: C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CCCCCCC(=O)NO
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Product OPENEYE NAME: 3-benzyl-8-chloro-1-(2-naphthylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CAS Name: 8-chloro-1-(2-naphthalenylmethyl)-3-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC NAME: 3-benzyl-8-chloro-1-(naphthalen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SYSTEMATIC NAME: 8-chloranyl-1-(naphthalen-2-ylmethyl)-3-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
MOLECULAR FORMULA: C27H21ClN2O2
MOLECULAR WEIGHT: 440.92084
SMILES: C1=CC=C(C=C1)CC2C(=O)N(C3=C(C=CC(=C3)Cl)C(=O)N2)CC4=CC5=CC=CC=C5C=C4
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Product OPENEYE NAME: 7-(hydroxyamino)-7-oxo-N,N-bis[2-oxo-2-(8-quinolylamino)ethyl]heptanamide
CAS Name: N-hydroxy-N',N'-bis[2-oxo-2-(8-quinolinylamino)ethyl]heptanediamide
IUPAC NAME: N-hydroxy-N',N'-bis[2-oxo-2-(quinolin-8-ylamino)ethyl]heptanediamide
SYSTEMATIC NAME: N-oxidanyl-N',N'-bis[2-oxidanylidene-2-(quinolin-8-ylamino)ethyl]heptanediamide
MOLECULAR FORMULA: C29H30N6O5
MOLECULAR WEIGHT: 542.5857
SMILES: C1=CC2=C(C(=C1)NC(=O)CN(CC(=O)NC3=CC=CC4=C3N=CC=C4)C(=O)CCCCCC(=O)NO)N=CC=C2
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All Chemical Compounds Information

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Product OPENEYE NAME: 4-[3-acetyl-1-(4-bromophenyl)pyrazole-4-carbonyl]-5-methyl-N,1-diphenyl-pyrazole-3-carboxamide
CAS Name: 4-[[3-acetyl-1-(4-bromophenyl)-4-pyrazolyl]-oxomethyl]-5-methyl-N,1-diphenyl-3-pyrazolecarboxamide
IUPAC NAME: 4-[3-acetyl-1-(4-bromophenyl)pyrazole-4-carbonyl]-5-methyl-N,1-diphenylpyrazole-3-carboxamide
SYSTEMATIC NAME: 4-[1-(4-bromophenyl)-3-ethanoyl-pyrazol-4-yl]carbonyl-5-methyl-N,1-diphenyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C29H22BrN5O3
MOLECULAR WEIGHT: 568.42068
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C(=O)C4=CN(N=C4C(=O)C)C5=CC=C(C=C5)Br
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Product OPENEYE NAME: 6-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]pyridine-2-carboxylic acid
CAS Name: 6-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]-2-pyridinecarboxylic acid
IUPAC NAME: 6-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
SYSTEMATIC NAME: 6-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
MOLECULAR FORMULA: C24H30ClN3O4
MOLECULAR WEIGHT: 459.9657
SMILES: C1CN(CCC1CN2CCC(CC2)OC3=CC(=C(C=C3)CO)Cl)C4=CC=CC(=N4)C(=O)O
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Product OPENEYE NAME: 4-[3-acetyl-1-(m-tolyl)pyrazole-4-carbonyl]-5-methyl-N,1-diphenyl-pyrazole-3-carboxamide
CAS Name: 4-[[3-acetyl-1-(3-methylphenyl)-4-pyrazolyl]-oxomethyl]-5-methyl-N,1-diphenyl-3-pyrazolecarboxamide
IUPAC NAME: 4-[3-acetyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-5-methyl-N,1-diphenylpyrazole-3-carboxamide
SYSTEMATIC NAME: 4-[3-ethanoyl-1-(3-methylphenyl)pyrazol-4-yl]carbonyl-5-methyl-N,1-diphenyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C30H25N5O3
MOLECULAR WEIGHT: 503.5512
SMILES: CC1=CC(=CC=C1)N2C=C(C(=N2)C(=O)C)C(=O)C3=C(N(N=C3C(=O)NC4=CC=CC=C4)C5=CC=CC=C5)C
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Product OPENEYE NAME: 4-[3-acetyl-1-(p-tolyl)pyrazole-4-carbonyl]-5-methyl-N,1-diphenyl-pyrazole-3-carboxamide
CAS Name: 4-[[3-acetyl-1-(4-methylphenyl)-4-pyrazolyl]-oxomethyl]-5-methyl-N,1-diphenyl-3-pyrazolecarboxamide
IUPAC NAME: 4-[3-acetyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-5-methyl-N,1-diphenylpyrazole-3-carboxamide
SYSTEMATIC NAME: 4-[3-ethanoyl-1-(4-methylphenyl)pyrazol-4-yl]carbonyl-5-methyl-N,1-diphenyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C30H25N5O3
MOLECULAR WEIGHT: 503.5512
SMILES: CC1=CC=C(C=C1)N2C=C(C(=N2)C(=O)C)C(=O)C3=C(N(N=C3C(=O)NC4=CC=CC=C4)C5=CC=CC=C5)C
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Product OPENEYE NAME: [(E)-5-hydroxy-4-methyl-pent-3-enyl] dihydrogen phosphate
CAS Name: [(E)-5-hydroxy-4-methylpent-3-enyl] dihydrogen phosphate
IUPAC NAME: [(E)-5-hydroxy-4-methylpent-3-enyl] dihydrogen phosphate
SYSTEMATIC NAME: [(E)-4-methyl-5-oxidanyl-pent-3-enyl] dihydrogen phosphate
MOLECULAR FORMULA: C6H13O5P
MOLECULAR WEIGHT: 196.138181
SMILES: C/C(=C\CCOP(=O)(O)O)/CO
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Product OPENEYE NAME: 1,2-bis[(Z)-[2-chloro-6-(2,5-dimethoxy-4-nitro-phenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]guanidine
CAS Name: 1,2-bis[(Z)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)-5-imidazo[2,1-b]thiazolyl]methylideneamino]guanidine
IUPAC NAME: 1,2-bis[(Z)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
SYSTEMATIC NAME: 1,2-bis[(Z)-[2-chloranyl-6-(2,5-dimethoxy-4-nitro-phenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
MOLECULAR FORMULA: C29H23Cl2N11O8S2
MOLECULAR WEIGHT: 788.59782
SMILES: COC1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)/C=N\N/C(=N\N=C/C4=C(N=C5N4C=C(S5)Cl)C6=CC(=C(C=C6OC)[N+](=O)[O-])OC)/N)OC)[N+](=O)[O-]
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Product OPENEYE NAME: 6-[[6-(1-methyl-1-phenyl-ethyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanehydroxamic acid
CAS Name: N-hydroxy-6-[[4-oxo-6-(2-phenylpropan-2-yl)-1H-pyrimidin-2-yl]thio]hexanamide
IUPAC NAME: N-hydroxy-6-[[4-oxo-6-(2-phenylpropan-2-yl)-1H-pyrimidin-2-yl]sulfanyl]hexanamide
SYSTEMATIC NAME: N-oxidanyl-6-[[4-oxidanylidene-6-(2-phenylpropan-2-yl)-1H-pyrimidin-2-yl]sulfanyl]hexanamide
MOLECULAR FORMULA: C19H25N3O3S
MOLECULAR WEIGHT: 375.4851
SMILES: CC(C)(C1=CC=CC=C1)C2=CC(=O)N=C(N2)SCCCCCC(=O)NO
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Product OPENEYE NAME: [(Z)-5-hydroxy-4-methyl-pent-3-enyl] phosphono hydrogen phosphate
CAS Name: [(Z)-5-hydroxy-4-methylpent-3-enyl] phosphono hydrogen phosphate
IUPAC NAME: [(Z)-5-hydroxy-4-methylpent-3-enyl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [(Z)-4-methyl-5-oxidanyl-pent-3-enyl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C6H14O8P2
MOLECULAR WEIGHT: 276.118082
SMILES: C/C(=C/CCOP(=O)(O)OP(=O)(O)O)/CO
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Product OPENEYE NAME: [(Z)-5-hydroxy-3-methyl-pent-3-enyl] phosphono hydrogen phosphate
CAS Name: [(Z)-5-hydroxy-3-methylpent-3-enyl] phosphono hydrogen phosphate
IUPAC NAME: [(Z)-5-hydroxy-3-methylpent-3-enyl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [(Z)-3-methyl-5-oxidanyl-pent-3-enyl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C6H14O8P2
MOLECULAR WEIGHT: 276.118082
SMILES: C/C(=C/CO)/CCOP(=O)(O)OP(=O)(O)O
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Product OPENEYE NAME: (1S,11S,19R)-5,16-diamino-3,6,9,18-tetraoxo-2,7,10,15,17,20-hexazabicyclo[17.2.1]docos-15-ene-11-carboxylic acid
CAS Name: (1S,11S,19R)-5,16-diamino-3,6,9,18-tetraoxo-2,7,10,15,17,20-hexazabicyclo[17.2.1]docos-15-ene-11-carboxylic acid
IUPAC NAME: (1S,11S,19R)-5,16-diamino-3,6,9,18-tetraoxo-2,7,10,15,17,20-hexazabicyclo[17.2.1]docos-15-ene-11-carboxylic acid
SYSTEMATIC NAME: (1S,11S,19R)-5,16-bis(azanyl)-3,6,9,18-tetrakis(oxidanylidene)-2,7,10,15,17,20-hexazabicyclo[17.2.1]docos-15-ene-11-carboxylic acid
MOLECULAR FORMULA: C17H28N8O6
MOLECULAR WEIGHT: 440.45422
SMILES: C1C[C@H](NC(=O)CNC(=O)C(CC(=O)N[C@H]2C[C@H](C(=O)NC(=NC1)N)NC2)N)C(=O)O
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Product OPENEYE NAME: 8-chloro-3-(1H-indol-3-ylmethyl)-1-(2-naphthylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CAS Name: 8-chloro-3-(1H-indol-3-ylmethyl)-1-(2-naphthalenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC NAME: 8-chloro-3-(1H-indol-3-ylmethyl)-1-(naphthalen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SYSTEMATIC NAME: 8-chloranyl-3-(1H-indol-3-ylmethyl)-1-(naphthalen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
MOLECULAR FORMULA: C29H22ClN3O2
MOLECULAR WEIGHT: 479.95688
SMILES: C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C=CC(=C4)Cl)C(=O)NC(C3=O)CC5=CNC6=CC=CC=C65
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24O5
MOLECULAR WEIGHT: 356.41226
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(CC(O4)C)O
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Product OPENEYE NAME: 3-(4-aminobutyl)-8-chloro-1-(2-naphthylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CAS Name: 3-(4-aminobutyl)-8-chloro-1-(2-naphthalenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC NAME: 3-(4-aminobutyl)-8-chloro-1-(naphthalen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SYSTEMATIC NAME: 3-(4-azanylbutyl)-8-chloranyl-1-(naphthalen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
MOLECULAR FORMULA: C24H24ClN3O2
MOLECULAR WEIGHT: 421.91926
SMILES: C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C=CC(=C4)Cl)C(=O)NC(C3=O)CCCCN
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Product OPENEYE NAME: N-(3-bromo-2-hydrazino-phenyl)pyrido[4,3-d]pyrimidin-4-amine
CAS Name: N-(3-bromo-2-hydrazinylphenyl)-4-pyrido[4,3-d]pyrimidinamine
IUPAC NAME: N-(3-bromo-2-hydrazinylphenyl)pyrido[4,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-(3-bromanyl-2-diazanyl-phenyl)pyrido[4,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C13H11BrN6
MOLECULAR WEIGHT: 331.17064
SMILES: C1=CC(=C(C(=C1)Br)NN)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: N2-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
CAS Name: N2-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 2-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: N2-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
MOLECULAR FORMULA: C13H11N5
MOLECULAR WEIGHT: 237.25994
SMILES: C1=CC=C(C(=C1)N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: (2S)-2-[(5-methoxy-2-methyl-1H-indol-3-yl)methylamino]-8-oxo-N-(4-phenylthiazol-2-yl)nonanamide
CAS Name: (2S)-2-[(5-methoxy-2-methyl-1H-indol-3-yl)methylamino]-8-oxo-N-(4-phenyl-2-thiazolyl)nonanamide
IUPAC NAME: (2S)-2-[(5-methoxy-2-methyl-1H-indol-3-yl)methylamino]-8-oxo-N-(4-phenyl-1,3-thiazol-2-yl)nonanamide
SYSTEMATIC NAME: (2S)-2-[(5-methoxy-2-methyl-1H-indol-3-yl)methylamino]-8-oxidanylidene-N-(4-phenyl-1,3-thiazol-2-yl)nonanamide
MOLECULAR FORMULA: C29H34N4O3S
MOLECULAR WEIGHT: 518.67026
SMILES: CC1=C(C2=C(N1)C=CC(=C2)OC)CN[C@@H](CCCCCC(=O)C)C(=O)NC3=NC(=CS3)C4=CC=CC=C4
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Product OPENEYE NAME: (2S)-2-[(5-methoxy-2-methyl-1H-indol-3-yl)methylamino]-8-oxo-N-(3-phenylphenyl)nonanamide
CAS Name: (2S)-2-[(5-methoxy-2-methyl-1H-indol-3-yl)methylamino]-8-oxo-N-(3-phenylphenyl)nonanamide
IUPAC NAME: (2S)-2-[(5-methoxy-2-methyl-1H-indol-3-yl)methylamino]-8-oxo-N-(3-phenylphenyl)nonanamide
SYSTEMATIC NAME: (2S)-2-[(5-methoxy-2-methyl-1H-indol-3-yl)methylamino]-8-oxidanylidene-N-(3-phenylphenyl)nonanamide
MOLECULAR FORMULA: C32H37N3O3
MOLECULAR WEIGHT: 511.65448
SMILES: CC1=C(C2=C(N1)C=CC(=C2)OC)CN[C@@H](CCCCCC(=O)C)C(=O)NC3=CC=CC(=C3)C4=CC=CC=C4
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Product OPENEYE NAME: N-methyl-2-oxo-N'-[4-(3-pyridyl)thiazol-2-yl]nonanediamide
CAS Name: N-methyl-2-oxo-N'-[4-(3-pyridinyl)-2-thiazolyl]nonanediamide
IUPAC NAME: N-methyl-2-oxo-N'-(4-pyridin-3-yl-1,3-thiazol-2-yl)nonanediamide
SYSTEMATIC NAME: N-methyl-2-oxidanylidene-N'-(4-pyridin-3-yl-1,3-thiazol-2-yl)nonanediamide
MOLECULAR FORMULA: C18H22N4O3S
MOLECULAR WEIGHT: 374.45728
SMILES: CNC(=O)C(=O)CCCCCCC(=O)NC1=NC(=CS1)C2=CN=CC=C2
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All Chemical Compounds Information

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Product OPENEYE NAME: 3-bromo-N2-[4-(dimethylamino)butyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[4-(dimethylamino)butyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-[4-(dimethylamino)butyl]-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-[4-(dimethylamino)butyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C19H23BrN6
MOLECULAR WEIGHT: 415.33012
SMILES: CN(C)CCCCNC1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 3-nitro-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-nitro-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-nitro-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-nitro-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C13H10N6O2
MOLECULAR WEIGHT: 282.2575
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 2-[(6S,9S,12R,15S)-12,15-dibenzyl-9-(3-guanidinopropyl)-6-(1H-indol-3-ylmethyl)-5,8,11,14,17,21-hexaoxo-1,4,7,10,13,16-hexazacyclohenicos-4-yl]acetamide
CAS Name: 2-[(6S,9S,12R,15S)-9-[3-(diaminomethylideneamino)propyl]-6-(1H-indol-3-ylmethyl)-5,8,11,14,17,21-hexaoxo-12,15-bis(phenylmethyl)-1,4,7,10,13,16-hexazacycloheneicos-4-yl]acetamide
IUPAC NAME: 2-[(6S,9S,12R,15S)-12,15-dibenzyl-9-[3-(diaminomethylideneamino)propyl]-6-(1H-indol-3-ylmethyl)-5,8,11,14,17,21-hexaoxo-1,4,7,10,13,16-hexazacyclohenicos-4-yl]acetamide
SYSTEMATIC NAME: 2-[(6S,9S,12R,15S)-9-[3-[bis(azanyl)methylideneamino]propyl]-6-(1H-indol-3-ylmethyl)-5,8,11,14,17,21-hexakis(oxidanylidene)-12,15-bis(phenylmethyl)-1,4,7,10,13,16-hexazacyclohenicos-4-yl]ethanamide
MOLECULAR FORMULA: C44H55N11O7
MOLECULAR WEIGHT: 849.977
SMILES: C1CC(=O)NCCN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C1)CC2=CC=CC=C2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)CC(=O)N
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Product OPENEYE NAME: (2S)-2-[(1-methyl-2-piperidyl)amino]-8-oxo-N-(4-phenylthiazol-2-yl)nonanamide
CAS Name: (2S)-2-[(1-methyl-2-piperidinyl)amino]-8-oxo-N-(4-phenyl-2-thiazolyl)nonanamide
IUPAC NAME: (2S)-2-[(1-methylpiperidin-2-yl)amino]-8-oxo-N-(4-phenyl-1,3-thiazol-2-yl)nonanamide
SYSTEMATIC NAME: (2S)-2-[(1-methylpiperidin-2-yl)amino]-8-oxidanylidene-N-(4-phenyl-1,3-thiazol-2-yl)nonanamide
MOLECULAR FORMULA: C24H34N4O2S
MOLECULAR WEIGHT: 442.61736
SMILES: CC(=O)CCCCC[C@@H](C(=O)NC1=NC(=CS1)C2=CC=CC=C2)NC3CCCCN3C
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Product OPENEYE NAME: methyl (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]propanoate
CAS Name: (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]propanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]propanoate
SYSTEMATIC NAME: methyl (2S)-2-[[5-methyl-1,1,3-tris(oxidanylidene)-4-propyl-1,2,5-thiadiazolidin-2-yl]methylsulfonylamino]propanoate
MOLECULAR FORMULA: C11H21N3O7S2
MOLECULAR WEIGHT: 371.43034
SMILES: CCCC1C(=O)N(S(=O)(=O)N1C)CS(=O)(=O)N[C@@H](C)C(=O)OC
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Product OPENEYE NAME: (2S)-2-[(1-methyl-2-piperidyl)amino]-8-oxo-N-(3-phenylphenyl)nonanamide
CAS Name: (2S)-2-[(1-methyl-2-piperidinyl)amino]-8-oxo-N-(3-phenylphenyl)nonanamide
IUPAC NAME: (2S)-2-[(1-methylpiperidin-2-yl)amino]-8-oxo-N-(3-phenylphenyl)nonanamide
SYSTEMATIC NAME: (2S)-2-[(1-methylpiperidin-2-yl)amino]-8-oxidanylidene-N-(3-phenylphenyl)nonanamide
MOLECULAR FORMULA: C27H37N3O2
MOLECULAR WEIGHT: 435.60158
SMILES: CC(=O)CCCCC[C@@H](C(=O)NC1=CC=CC(=C1)C2=CC=CC=C2)NC3CCCCN3C
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Product OPENEYE NAME: (2S)-8-oxo-N-(3-phenylphenyl)-2-(thiazol-5-ylamino)nonanamide
CAS Name: (2S)-8-oxo-N-(3-phenylphenyl)-2-(5-thiazolylamino)nonanamide
IUPAC NAME: (2S)-8-oxo-N-(3-phenylphenyl)-2-(1,3-thiazol-5-ylamino)nonanamide
SYSTEMATIC NAME: (2S)-8-oxidanylidene-N-(3-phenylphenyl)-2-(1,3-thiazol-5-ylamino)nonanamide
MOLECULAR FORMULA: C24H27N3O2S
MOLECULAR WEIGHT: 421.55508
SMILES: CC(=O)CCCCC[C@@H](C(=O)NC1=CC=CC(=C1)C2=CC=CC=C2)NC3=CN=CS3
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(dibenzylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis(phenylmethyl)amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(dibenzylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(phenylmethyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C56H84N4O3
MOLECULAR WEIGHT: 861.29116
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7=CC=CC=C7)CC8=CC=CC=C8
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Product OPENEYE NAME: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]benzoic acid
CAS Name: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]benzoic acid
IUPAC NAME: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]benzoic acid
SYSTEMATIC NAME: 2-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]benzoic acid
MOLECULAR FORMULA: C25H31ClN2O4
MOLECULAR WEIGHT: 458.97764
SMILES: C1CN(CCC1CN2CCC(CC2)OC3=CC(=C(C=C3)CO)Cl)C4=CC=CC=C4C(=O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H56N8O6
MOLECULAR WEIGHT: 816.98684
SMILES: CC(=O)NCCCNCCCCNCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCNCCCCNCCCNC(=O)C)C1=O
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Product OPENEYE NAME: 9-methylsulfanyl-8-oxo-N-phenyl-nonanamide
CAS Name: 9-(methylthio)-8-oxo-N-phenylnonanamide
IUPAC NAME: 9-methylsulfanyl-8-oxo-N-phenylnonanamide
SYSTEMATIC NAME: 9-methylsulfanyl-8-oxidanylidene-N-phenyl-nonanamide
MOLECULAR FORMULA: C16H23NO2S
MOLECULAR WEIGHT: 293.42432
SMILES: CSCC(=O)CCCCCCC(=O)NC1=CC=CC=C1
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All Chemical Compounds Information

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Product OPENEYE NAME: (E)-3-(2-benzyl-1-oxo-isoindolin-5-yl)prop-2-enehydroxamic acid
CAS Name: (E)-N-hydroxy-3-[1-oxo-2-(phenylmethyl)-3H-isoindol-5-yl]-2-propenamide
IUPAC NAME: (E)-3-(2-benzyl-1-oxo-3H-isoindol-5-yl)-N-hydroxyprop-2-enamide
SYSTEMATIC NAME: (E)-N-oxidanyl-3-[1-oxidanylidene-2-(phenylmethyl)-3H-isoindol-5-yl]prop-2-enamide
MOLECULAR FORMULA: C18H16N2O3
MOLECULAR WEIGHT: 308.33124
SMILES: C1C2=C(C=CC(=C2)/C=C/C(=O)NO)C(=O)N1CC3=CC=CC=C3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22N4O2
MOLECULAR WEIGHT: 326.39288
SMILES: CC(C)[C@H]1C(=O)N[C@@H](CC2=CN3C4=C(C=CC(=C24)N1C)C=N3)CO
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Product OPENEYE NAME: 2-[4-(diethylamino)phenyl]guanidine
CAS Name: 2-[4-(diethylamino)phenyl]guanidine
IUPAC NAME: 2-[4-(diethylamino)phenyl]guanidine
SYSTEMATIC NAME: 2-[4-(diethylamino)phenyl]guanidine
MOLECULAR FORMULA: C11H18N4
MOLECULAR WEIGHT: 206.28742
SMILES: CCN(CC)C1=CC=C(C=C1)N=C(N)N
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Product OPENEYE NAME: 3-bromo-N2-(3-imidazol-1-ylpropyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[3-(1-imidazolyl)propyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-(3-imidazol-1-ylpropyl)-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-(3-imidazol-1-ylpropyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C19H18BrN7
MOLECULAR WEIGHT: 424.29712
SMILES: C1=CC(=C(C(=C1)Br)NCCCN2C=CN=C2)NC3=NC=NC4=C3C=NC=C4
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Product OPENEYE NAME: N2-(7-bromopyrido[4,3-d]pyrimidin-4-yl)benzene-1,2-diamine
CAS Name: N2-(7-bromo-4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 2-N-(7-bromopyrido[4,3-d]pyrimidin-4-yl)benzene-1,2-diamine
SYSTEMATIC NAME: N2-(7-bromanylpyrido[4,3-d]pyrimidin-4-yl)benzene-1,2-diamine
MOLECULAR FORMULA: C13H10BrN5
MOLECULAR WEIGHT: 316.156
SMILES: C1=CC=C(C(=C1)N)NC2=NC=NC3=CC(=NC=C32)Br
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Product OPENEYE NAME: 3-bromo-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C13H10BrN5
MOLECULAR WEIGHT: 316.156
SMILES: C1=CC(=C(C(=C1)Br)N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-hydroxybutylsulfamoyl)benzamide
CAS Name: 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-hydroxybutylsulfamoyl)benzamide
IUPAC NAME: 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-hydroxybutylsulfamoyl)benzamide
SYSTEMATIC NAME: 2-chloranyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-oxidanylbutylsulfamoyl)benzamide
MOLECULAR FORMULA: C19H20ClN3O4S2
MOLECULAR WEIGHT: 453.9628
SMILES: C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)NCCCCO)Cl
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Product OPENEYE NAME: methyl (2R)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-3-phenyl-propanoate
CAS Name: (2R)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-3-phenylpropanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-3-phenylpropanoate
SYSTEMATIC NAME: methyl (2R)-2-[[5-methyl-1,1,3-tris(oxidanylidene)-4-propyl-1,2,5-thiadiazolidin-2-yl]methylsulfonylamino]-3-phenyl-propanoate
MOLECULAR FORMULA: C17H25N3O7S2
MOLECULAR WEIGHT: 447.5263
SMILES: CCCC1C(=O)N(S(=O)(=O)N1C)CS(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC
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Product OPENEYE NAME: methyl (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]pentanoate
CAS Name: (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]pentanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]pentanoate
SYSTEMATIC NAME: methyl (2S)-2-[[5-methyl-1,1,3-tris(oxidanylidene)-4-propyl-1,2,5-thiadiazolidin-2-yl]methylsulfonylamino]pentanoate
MOLECULAR FORMULA: C13H25N3O7S2
MOLECULAR WEIGHT: 399.4835
SMILES: CCCC1C(=O)N(S(=O)(=O)N1C)CS(=O)(=O)N[C@@H](CCC)C(=O)OC
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Product OPENEYE NAME: methyl (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-3-phenyl-propanoate
CAS Name: (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-3-phenylpropanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-3-phenylpropanoate
SYSTEMATIC NAME: methyl (2S)-2-[[5-methyl-1,1,3-tris(oxidanylidene)-4-propyl-1,2,5-thiadiazolidin-2-yl]methylsulfonylamino]-3-phenyl-propanoate
MOLECULAR FORMULA: C17H25N3O7S2
MOLECULAR WEIGHT: 447.5263
SMILES: CCCC1C(=O)N(S(=O)(=O)N1C)CS(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H52N8O4
MOLECULAR WEIGHT: 732.91348
SMILES: C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCNCCCCNCCCN)C(=O)N(C2=O)CCNCCCCNCCCN
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Product OPENEYE NAME: [3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyrimidin-4-yl-methanone
CAS Name: [3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-(4-pyrimidinyl)methanone
IUPAC NAME: [3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyrimidin-4-ylmethanone
SYSTEMATIC NAME: [3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyrimidin-4-yl-methanone
MOLECULAR FORMULA: C27H30N4O2
MOLECULAR WEIGHT: 442.5527
SMILES: C1CN(CCC12CCN(CC2)C(=O)C3=NC=NC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(3-phenylpropyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis(3-phenylpropyl)amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(3-phenylpropyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(3-phenylpropyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C60H92N4O3
MOLECULAR WEIGHT: 917.39748
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CCCC7=CC=CC=C7)CCCC8=CC=CC=C8
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Product OPENEYE NAME: ethyl 4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-(4-nitrophenyl)pyrazole-3-carboxylate
CAS Name: 4-[[3-[anilino(oxo)methyl]-5-methyl-1-phenyl-4-pyrazolyl]-oxomethyl]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-(4-nitrophenyl)pyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbonyl-1-(4-nitrophenyl)pyrazole-3-carboxylate
MOLECULAR FORMULA: C30H24N6O6
MOLECULAR WEIGHT: 564.54816
SMILES: CCOC(=O)C1=NN(C=C1C(=O)C2=C(N(N=C2C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C)C5=CC=C(C=C5)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]-3-(4-methylsulfonylphenyl)propanoic acid
CAS Name: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]-3-(4-methylsulfonylphenyl)propanoic acid
IUPAC NAME: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-methylsulfonylphenyl)propanoic acid
SYSTEMATIC NAME: 2-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-methylsulfonylphenyl)propanoic acid
MOLECULAR FORMULA: C28H37ClN2O6S
MOLECULAR WEIGHT: 565.12118
SMILES: CS(=O)(=O)C1=CC=C(C=C1)CC(C(=O)O)N2CCC(CC2)CN3CCC(CC3)OC4=CC(=C(C=C4)CO)Cl
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Product OPENEYE NAME: ethyl 4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenyl-pyrazole-3-carboxylate
CAS Name: 4-[[3-[anilino(oxo)methyl]-5-methyl-1-phenyl-4-pyrazolyl]-oxomethyl]-1-phenyl-3-pyrazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbonyl-1-phenyl-pyrazole-3-carboxylate
MOLECULAR FORMULA: C30H25N5O4
MOLECULAR WEIGHT: 519.5506
SMILES: CCOC(=O)C1=NN(C=C1C(=O)C2=C(N(N=C2C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C)C5=CC=CC=C5
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Product OPENEYE NAME: [(Z)-5-hydroxy-3-methyl-pent-3-enyl] dihydrogen phosphate
CAS Name: [(Z)-5-hydroxy-3-methylpent-3-enyl] dihydrogen phosphate
IUPAC NAME: [(Z)-5-hydroxy-3-methylpent-3-enyl] dihydrogen phosphate
SYSTEMATIC NAME: [(Z)-3-methyl-5-oxidanyl-pent-3-enyl] dihydrogen phosphate
MOLECULAR FORMULA: C6H13O5P
MOLECULAR WEIGHT: 196.138181
SMILES: C/C(=C/CO)/CCOP(=O)(O)O
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Product OPENEYE NAME: [(Z)-5-hydroxy-4-methyl-pent-3-enyl] dihydrogen phosphate
CAS Name: [(Z)-5-hydroxy-4-methylpent-3-enyl] dihydrogen phosphate
IUPAC NAME: [(Z)-5-hydroxy-4-methylpent-3-enyl] dihydrogen phosphate
SYSTEMATIC NAME: [(Z)-4-methyl-5-oxidanyl-pent-3-enyl] dihydrogen phosphate
MOLECULAR FORMULA: C6H13O5P
MOLECULAR WEIGHT: 196.138181
SMILES: C/C(=C/CCOP(=O)(O)O)/CO
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Product OPENEYE NAME: 7-[2-phenylethyl(3-phenylpropyl)amino]heptanehydroxamic acid
CAS Name: N-hydroxy-7-[2-phenylethyl(3-phenylpropyl)amino]heptanamide
IUPAC NAME: N-hydroxy-7-[2-phenylethyl(3-phenylpropyl)amino]heptanamide
SYSTEMATIC NAME: N-oxidanyl-7-[2-phenylethyl(3-phenylpropyl)amino]heptanamide
MOLECULAR FORMULA: C24H34N2O2
MOLECULAR WEIGHT: 382.53896
SMILES: C1=CC=C(C=C1)CCCN(CCCCCCC(=O)NO)CCC2=CC=CC=C2
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Product OPENEYE NAME: 3-benzyl-1-butyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CAS Name: 1-butyl-3-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC NAME: 3-benzyl-1-butyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SYSTEMATIC NAME: 1-butyl-3-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: CCCCN1C2=CC=CC=C2C(=O)NC(C1=O)CC3=CC=CC=C3
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Product OPENEYE NAME: 3-benzyl-1-[(2-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CAS Name: 3-(phenylmethyl)-1-[(2-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC NAME: 3-benzyl-1-[(2-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SYSTEMATIC NAME: 3-(phenylmethyl)-1-[(2-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
MOLECULAR FORMULA: C29H24N2O2
MOLECULAR WEIGHT: 432.51306
SMILES: C1=CC=C(C=C1)CC2C(=O)N(C3=CC=CC=C3C(=O)N2)CC4=CC=CC=C4C5=CC=CC=C5
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Product OPENEYE NAME: 3-benzyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CAS Name: 3-(phenylmethyl)-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC NAME: 3-benzyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SYSTEMATIC NAME: 3-(phenylmethyl)-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
MOLECULAR FORMULA: C19H20N2O2
MOLECULAR WEIGHT: 308.3743
SMILES: CCCN1C2=CC=CC=C2C(=O)NC(C1=O)CC3=CC=CC=C3
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All Chemical Compounds Information

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Product OPENEYE NAME: 3-bromo-N2-[2-(1H-imidazol-5-yl)ethyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[2-(1H-imidazol-5-yl)ethyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-[2-(1H-imidazol-5-yl)ethyl]-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-[2-(1H-imidazol-5-yl)ethyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C18H16BrN7
MOLECULAR WEIGHT: 410.27054
SMILES: C1=CC(=C(C(=C1)Br)NCCC2=CN=CN2)NC3=NC=NC4=C3C=NC=C4
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Product OPENEYE NAME: 3-bromo-N2-[5-(dimethylamino)pentyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[5-(dimethylamino)pentyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-[5-(dimethylamino)pentyl]-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-[5-(dimethylamino)pentyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C20H25BrN6
MOLECULAR WEIGHT: 429.3567
SMILES: CN(C)CCCCCNC1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 4-bromo-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 4-bromo-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 4-bromo-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 4-bromanyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C13H10BrN5
MOLECULAR WEIGHT: 316.156
SMILES: C1=CC(=C(C=C1Br)N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: N-(5-bromo-3-cyano-2-thienyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CAS Name: N-(5-bromo-3-cyano-2-thiophenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
IUPAC NAME: N-(5-bromo-3-cyanothiophen-2-yl)-2-chloro-5-(diethylsulfamoyl)benzamide
SYSTEMATIC NAME: N-(5-bromanyl-3-cyano-thiophen-2-yl)-2-chloranyl-5-(diethylsulfamoyl)benzamide
MOLECULAR FORMULA: C16H15BrClN3O3S2
MOLECULAR WEIGHT: 476.7956
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=C(C=C(S2)Br)C#N
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Product OPENEYE NAME: methyl (2S)-3-hydroxy-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]propanoate
CAS Name: (2S)-3-hydroxy-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]propanoic acid methyl ester
IUPAC NAME: methyl (2S)-3-hydroxy-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]propanoate
SYSTEMATIC NAME: methyl (2S)-2-[[5-methyl-1,1,3-tris(oxidanylidene)-4-propyl-1,2,5-thiadiazolidin-2-yl]methylsulfonylamino]-3-oxidanyl-propanoate
MOLECULAR FORMULA: C11H21N3O8S2
MOLECULAR WEIGHT: 387.42974
SMILES: CCCC1C(=O)N(S(=O)(=O)N1C)CS(=O)(=O)N[C@@H](CO)C(=O)OC
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Product OPENEYE NAME: 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-sulfamoyl-benzamide
CAS Name: 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-sulfamoylbenzamide
IUPAC NAME: 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-sulfamoylbenzamide
SYSTEMATIC NAME: 2-chloranyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-sulfamoyl-benzamide
MOLECULAR FORMULA: C15H12ClN3O3S2
MOLECULAR WEIGHT: 381.85708
SMILES: C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)Cl
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Product OPENEYE NAME: methyl (2S)-3-benzyloxy-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]propanoate
CAS Name: (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-3-phenylmethoxypropanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-3-phenylmethoxypropanoate
SYSTEMATIC NAME: methyl (2S)-2-[[5-methyl-1,1,3-tris(oxidanylidene)-4-propyl-1,2,5-thiadiazolidin-2-yl]methylsulfonylamino]-3-phenylmethoxy-propanoate
MOLECULAR FORMULA: C18H27N3O8S2
MOLECULAR WEIGHT: 477.55228
SMILES: CCCC1C(=O)N(S(=O)(=O)N1C)CS(=O)(=O)N[C@@H](COCC2=CC=CC=C2)C(=O)OC
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Product OPENEYE NAME: [2-chloro-4-[[1-(4-piperidylmethyl)-4-piperidyl]oxy]phenyl]methanol
CAS Name: [2-chloro-4-[[1-(4-piperidinylmethyl)-4-piperidinyl]oxy]phenyl]methanol
IUPAC NAME: [2-chloro-4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyphenyl]methanol
SYSTEMATIC NAME: [2-chloranyl-4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxy-phenyl]methanol
MOLECULAR FORMULA: C18H27ClN2O2
MOLECULAR WEIGHT: 338.87218
SMILES: C1CNCCC1CN2CCC(CC2)OC3=CC(=C(C=C3)CO)Cl
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Product OPENEYE NAME: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]piperidine-1-carbonyl]benzoic acid
CAS Name: 2-[[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]-oxomethyl]benzoic acid
IUPAC NAME: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidine-1-carbonyl]benzoic acid
SYSTEMATIC NAME: 2-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]carbonylbenzoic acid
MOLECULAR FORMULA: C26H31ClN2O5
MOLECULAR WEIGHT: 486.98774
SMILES: C1CN(CCC1CN2CCC(CC2)OC3=CC(=C(C=C3)CO)Cl)C(=O)C4=CC=CC=C4C(=O)O
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Product OPENEYE NAME: ethyl 1-(4-bromophenyl)-4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-3-carboxylate
CAS Name: 4-[[3-[anilino(oxo)methyl]-5-methyl-1-phenyl-4-pyrazolyl]-oxomethyl]-1-(4-bromophenyl)-3-pyrazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(4-bromophenyl)-4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 1-(4-bromophenyl)-4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbonyl-pyrazole-3-carboxylate
MOLECULAR FORMULA: C30H24BrN5O4
MOLECULAR WEIGHT: 598.44666
SMILES: CCOC(=O)C1=NN(C=C1C(=O)C2=C(N(N=C2C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C)C5=CC=C(C=C5)Br
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All Chemical Compounds Information

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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-chlorophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis[(4-chlorophenyl)methyl]amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-chlorophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-chlorophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C56H82Cl2N4O3
MOLECULAR WEIGHT: 930.18128
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7=CC=C(C=C7)Cl)CC8=CC=C(C=C8)Cl
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Product OPENEYE NAME: (E)-3-(4-butoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CAS Name: (E)-3-(4-butoxyphenyl)-1-(2,4,6-trimethoxyphenyl)-2-propen-1-one
IUPAC NAME: (E)-3-(4-butoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-butoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C22H26O5
MOLECULAR WEIGHT: 370.43884
SMILES: CCCCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H36N8O4
MOLECULAR WEIGHT: 620.70084
SMILES: C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CNCCNCCN)C(=O)N(C2=O)CNCCNCCN
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H40N8O6
MOLECULAR WEIGHT: 704.7742
SMILES: CC(=O)NCCNCCNCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CNCCNCCNC(=O)C)C1=O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H34N6O4
MOLECULAR WEIGHT: 590.67156
SMILES: C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCNCCCN)C(=O)N(C2=O)CCNCCCN
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Product OPENEYE NAME: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]piperidine-1-carbonyl]-4-methyl-benzoic acid
CAS Name: 2-[[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]-oxomethyl]-4-methylbenzoic acid
IUPAC NAME: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidine-1-carbonyl]-4-methylbenzoic acid
SYSTEMATIC NAME: 2-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]carbonyl-4-methyl-benzoic acid
MOLECULAR FORMULA: C27H33ClN2O5
MOLECULAR WEIGHT: 501.01432
SMILES: CC1=CC(=C(C=C1)C(=O)O)C(=O)N2CCC(CC2)CN3CCC(CC3)OC4=CC(=C(C=C4)CO)Cl
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Product OPENEYE NAME: methyl 4-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]butanoate
CAS Name: 4-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]butanoic acid methyl ester
IUPAC NAME: methyl 4-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]butanoate
SYSTEMATIC NAME: methyl 4-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]butanoate
MOLECULAR FORMULA: C23H35ClN2O4
MOLECULAR WEIGHT: 438.988
SMILES: COC(=O)CCCN1CCC(CC1)CN2CCC(CC2)OC3=CC(=C(C=C3)CO)Cl
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Product OPENEYE NAME: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]acetic acid
CAS Name: 2-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]acetic acid
IUPAC NAME: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]acetic acid
SYSTEMATIC NAME: 2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]ethanoic acid
MOLECULAR FORMULA: C15H12BrN5O2
MOLECULAR WEIGHT: 374.19208
SMILES: C1=CC(=C(C(=C1)Br)NCC(=O)O)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 3-bromo-N2-[2-(dimethylamino)ethyl]-N2-methyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[2-(dimethylamino)ethyl]-N2-methyl-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-[2-(dimethylamino)ethyl]-N2-methyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C18H21BrN6
MOLECULAR WEIGHT: 401.30354
SMILES: CN(C)CCN(C)C1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: N1-pyrido[4,3-d]pyrimidin-4-yl-4-(trifluoromethyl)benzene-1,2-diamine
CAS Name: N1-(4-pyrido[4,3-d]pyrimidinyl)-4-(trifluoromethyl)benzene-1,2-diamine
IUPAC NAME: 1-N-pyrido[4,3-d]pyrimidin-4-yl-4-(trifluoromethyl)benzene-1,2-diamine
SYSTEMATIC NAME: N1-pyrido[4,3-d]pyrimidin-4-yl-4-(trifluoromethyl)benzene-1,2-diamine
MOLECULAR FORMULA: C14H10F3N5
MOLECULAR WEIGHT: 305.25791
SMILES: C1=CC(=C(C=C1C(F)(F)F)N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: N2-(7-methoxypyrido[4,3-d]pyrimidin-4-yl)benzene-1,2-diamine
CAS Name: N2-(7-methoxy-4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 2-N-(7-methoxypyrido[4,3-d]pyrimidin-4-yl)benzene-1,2-diamine
SYSTEMATIC NAME: N2-(7-methoxypyrido[4,3-d]pyrimidin-4-yl)benzene-1,2-diamine
MOLECULAR FORMULA: C14H13N5O
MOLECULAR WEIGHT: 267.28592
SMILES: COC1=NC=C2C(=C1)N=CN=C2NC3=CC=CC=C3N
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Product OPENEYE NAME: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid
IUPAC NAME: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C37H45N9O6
MOLECULAR WEIGHT: 711.8099
SMILES: C1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)CN
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Product OPENEYE NAME: 2-chloro-N-[3-cyano-5-[2-(4-pyridyl)ethyl]-2-thienyl]-5-morpholinosulfonyl-benzamide
CAS Name: 2-chloro-N-[3-cyano-5-(2-pyridin-4-ylethyl)-2-thiophenyl]-5-(4-morpholinylsulfonyl)benzamide
IUPAC NAME: 2-chloro-N-[3-cyano-5-(2-pyridin-4-ylethyl)thiophen-2-yl]-5-morpholin-4-ylsulfonylbenzamide
SYSTEMATIC NAME: 2-chloranyl-N-[3-cyano-5-(2-pyridin-4-ylethyl)thiophen-2-yl]-5-morpholin-4-ylsulfonyl-benzamide
MOLECULAR FORMULA: C23H21ClN4O4S2
MOLECULAR WEIGHT: 517.02024
SMILES: C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=C(C=C(S3)CCC4=CC=NC=C4)C#N
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Product OPENEYE NAME: methyl (2S)-6-amino-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]hexanoate
CAS Name: (2S)-6-amino-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]hexanoic acid methyl ester
IUPAC NAME: methyl (2S)-6-amino-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]hexanoate
SYSTEMATIC NAME: methyl (2S)-6-azanyl-2-[[5-methyl-1,1,3-tris(oxidanylidene)-4-propyl-1,2,5-thiadiazolidin-2-yl]methylsulfonylamino]hexanoate
MOLECULAR FORMULA: C14H28N4O7S2
MOLECULAR WEIGHT: 428.52472
SMILES: CCCC1C(=O)N(S(=O)(=O)N1C)CS(=O)(=O)N[C@@H](CCCCN)C(=O)OC
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Product OPENEYE NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CAS Name: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
IUPAC NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SYSTEMATIC NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methanone
MOLECULAR FORMULA: C31H34N6O3
MOLECULAR WEIGHT: 538.64006
SMILES: COC1=CC=CC=C1OC2=CC=CC=C2CN3CCC4(CC3)CCN(CC4)C(=O)C5=CC=CC=C5C6=NNN=N6
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Product OPENEYE NAME: N-[7-(2-aminoanilino)-7-oxo-heptyl]-4-phenyl-benzamide
CAS Name: N-[7-(2-aminoanilino)-7-oxoheptyl]-4-phenylbenzamide
IUPAC NAME: N-[7-(2-aminoanilino)-7-oxoheptyl]-4-phenylbenzamide
SYSTEMATIC NAME: N-[7-[(2-aminophenyl)amino]-7-oxidanylidene-heptyl]-4-phenyl-benzamide
MOLECULAR FORMULA: C26H29N3O2
MOLECULAR WEIGHT: 415.52736
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCCCCC(=O)NC3=CC=CC=C3N
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Product OPENEYE NAME: N-[7-(2-aminoanilino)-7-oxo-heptyl]-6-phenyl-pyridine-3-carboxamide
CAS Name: N-[7-(2-aminoanilino)-7-oxoheptyl]-6-phenyl-3-pyridinecarboxamide
IUPAC NAME: N-[7-(2-aminoanilino)-7-oxoheptyl]-6-phenylpyridine-3-carboxamide
SYSTEMATIC NAME: N-[7-[(2-aminophenyl)amino]-7-oxidanylidene-heptyl]-6-phenyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C25H28N4O2
MOLECULAR WEIGHT: 416.51542
SMILES: C1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)NCCCCCCC(=O)NC3=CC=CC=C3N
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Product OPENEYE NAME: N-[7-(2-aminoanilino)-7-oxo-heptyl]-3-phenyl-benzamide
CAS Name: N-[7-(2-aminoanilino)-7-oxoheptyl]-3-phenylbenzamide
IUPAC NAME: N-[7-(2-aminoanilino)-7-oxoheptyl]-3-phenylbenzamide
SYSTEMATIC NAME: N-[7-[(2-aminophenyl)amino]-7-oxidanylidene-heptyl]-3-phenyl-benzamide
MOLECULAR FORMULA: C26H29N3O2
MOLECULAR WEIGHT: 415.52736
SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)NCCCCCCC(=O)NC3=CC=CC=C3N
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Product OPENEYE NAME: heptyl 8-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethoxy]octanoate
CAS Name: 8-[(1R)-1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethoxy]octanoic acid heptyl ester
IUPAC NAME: heptyl 8-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]octanoate
SYSTEMATIC NAME: heptyl 8-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethoxy]octanoate
MOLECULAR FORMULA: C26H38Cl2N2O3
MOLECULAR WEIGHT: 497.49752
SMILES: CCCCCCCOC(=O)CCCCCCCO[C@@H](CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: heptyl 8-[(1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethoxy]octanoate
CAS Name: 8-[(1S)-1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethoxy]octanoic acid heptyl ester
IUPAC NAME: heptyl 8-[(1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]octanoate
SYSTEMATIC NAME: heptyl 8-[(1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethoxy]octanoate
MOLECULAR FORMULA: C26H38Cl2N2O3
MOLECULAR WEIGHT: 497.49752
SMILES: CCCCCCCOC(=O)CCCCCCCO[C@H](CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 5-methyl-N,1-diphenyl-4-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-3-carboxamide
CAS Name: 4-[[3-[anilino(oxo)methyl]-1-phenyl-4-pyrazolyl]-oxomethyl]-5-methyl-N,1-diphenyl-3-pyrazolecarboxamide
IUPAC NAME: 5-methyl-N,1-diphenyl-4-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-3-carboxamide
SYSTEMATIC NAME: 5-methyl-N,1-diphenyl-4-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbonyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C34H26N6O3
MOLECULAR WEIGHT: 566.60864
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C(=O)C4=CN(N=C4C(=O)NC5=CC=CC=C5)C6=CC=CC=C6
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21F3N4O2
MOLECULAR WEIGHT: 394.39085
SMILES: CC(C)[C@H]1C(=O)N[C@@H](CC2=CN3C4=C(C=CC(=C24)N1C)C(=N3)C(F)(F)F)CO
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24N4O2
MOLECULAR WEIGHT: 340.41946
SMILES: CC1=NN2C=C3C[C@H](NC(=O)[C@@H](N(C4=C3C2=C1C=C4)C)C(C)C)CO
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All Chemical Compounds Information

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Product OPENEYE NAME: 6-methoxy-2-(4-methylsulfonylphenyl)-N-(2-thienylmethyl)pyrimidin-4-amine
CAS Name: 6-methoxy-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-4-pyrimidinamine
IUPAC NAME: 6-methoxy-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-methoxy-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C17H17N3O3S2
MOLECULAR WEIGHT: 375.46518
SMILES: COC1=NC(=NC(=C1)NCC2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 7-methoxy-10-methyl-5-oxido-2-(1-piperidyl)benzo[g]pteridin-5-ium-4-one
CAS Name: 7-methoxy-10-methyl-5-oxido-2-(1-piperidinyl)-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 7-methoxy-10-methyl-5-oxido-2-piperidin-1-ylbenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 7-methoxy-10-methyl-5-oxidanidyl-2-piperidin-1-yl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C17H19N5O3
MOLECULAR WEIGHT: 341.36446
SMILES: CN1C2=C(C=C(C=C2)OC)[N+](=C3C1=NC(=NC3=O)N4CCCCC4)[O-]
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-4-(2-thienylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine
CAS Name: 2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethylthio)-6-(trifluoromethyl)pyrimidine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine
MOLECULAR FORMULA: C17H13F3N2O2S3
MOLECULAR WEIGHT: 430.48753
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)SCC3=CC=CS3)C(F)(F)F
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Product OPENEYE NAME: N-[(1R,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N-methyl-tetradecanamide
CAS Name: N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
IUPAC NAME: N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
SYSTEMATIC NAME: N-methyl-N-[(1R,2R)-1-oxidanyl-1-phenyl-propan-2-yl]tetradecanamide
MOLECULAR FORMULA: C24H41NO2
MOLECULAR WEIGHT: 375.58784
SMILES: CCCCCCCCCCCCCC(=O)N(C)[C@H](C)[C@@H](C1=CC=CC=C1)O
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Product OPENEYE NAME: 4-benzylsulfinyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
CAS Name: 2-(4-methylsulfonylphenyl)-4-(phenylmethyl)sulfinyl-6-(trifluoromethyl)pyrimidine
IUPAC NAME: 4-benzylsulfinyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-4-(phenylmethyl)sulfinyl-6-(trifluoromethyl)pyrimidine
MOLECULAR FORMULA: C19H15F3N2O3S2
MOLECULAR WEIGHT: 440.45921
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)S(=O)CC3=CC=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 4-benzylsulfonyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
CAS Name: 2-(4-methylsulfonylphenyl)-4-(phenylmethyl)sulfonyl-6-(trifluoromethyl)pyrimidine
IUPAC NAME: 4-benzylsulfonyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-4-(phenylmethyl)sulfonyl-6-(trifluoromethyl)pyrimidine
MOLECULAR FORMULA: C19H15F3N2O4S2
MOLECULAR WEIGHT: 456.45861
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)S(=O)(=O)CC3=CC=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 8-hydroxy-4-methyl-9-nitro-benzo[g]chromen-2-one
CAS Name: 8-hydroxy-4-methyl-9-nitro-2-benzo[g][1]benzopyranone
IUPAC NAME: 8-hydroxy-4-methyl-9-nitrobenzo[g]chromen-2-one
SYSTEMATIC NAME: 4-methyl-9-nitro-8-oxidanyl-benzo[g]chromen-2-one
MOLECULAR FORMULA: C14H9NO5
MOLECULAR WEIGHT: 271.22496
SMILES: CC1=CC(=O)OC2=C1C=C3C=CC(=C(C3=C2)[N+](=O)[O-])O
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Product OPENEYE NAME: 4-benzylsulfanyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
CAS Name: 2-(4-methylsulfonylphenyl)-4-(phenylmethylthio)-6-(trifluoromethyl)pyrimidine
IUPAC NAME: 4-benzylsulfanyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-4-(phenylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine
MOLECULAR FORMULA: C19H15F3N2O2S2
MOLECULAR WEIGHT: 424.45981
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)SCC3=CC=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 3,8-dibromo-7-methoxy-4-methyl-chromen-2-one
CAS Name: 3,8-dibromo-7-methoxy-4-methyl-1-benzopyran-2-one
IUPAC NAME: 3,8-dibromo-7-methoxy-4-methylchromen-2-one
SYSTEMATIC NAME: 3,8-bis(bromanyl)-7-methoxy-4-methyl-chromen-2-one
MOLECULAR FORMULA: C11H8Br2O3
MOLECULAR WEIGHT: 347.98742
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2Br)OC)Br
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Product OPENEYE NAME: 4-[[(8R,9S,13S,14S,16R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]methyl]benzamide
CAS Name: 4-[[(8R,9S,13S,14S,16R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]methyl]benzamide
IUPAC NAME: 4-[[(8R,9S,13S,14S,16R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]methyl]benzamide
SYSTEMATIC NAME: 4-[[(8R,9S,13S,14S,16R)-3-methoxy-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]methyl]benzamide
MOLECULAR FORMULA: C27H31NO3
MOLECULAR WEIGHT: 417.53994
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2=O)CC4=CC=C(C=C4)C(=O)N)CCC5=C3C=CC(=C5)OC
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Product OPENEYE NAME: 4-[[(8R,9S,13S,14S,16R,17S)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
CAS Name: 4-[[(8R,9S,13S,14S,16R,17S)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
IUPAC NAME: 4-[[(8R,9S,13S,14S,16R,17S)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
SYSTEMATIC NAME: 4-[[(8R,9S,13S,14S,16R,17S)-3-methoxy-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
MOLECULAR FORMULA: C27H33NO3
MOLECULAR WEIGHT: 419.55582
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)CC4=CC=C(C=C4)C(=O)N)CCC5=C3C=CC(=C5)OC
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Product OPENEYE NAME: (6S,7R,7aS)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-3-one
CAS Name: (6S,7R,7aS)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-3-one
IUPAC NAME: (6S,7R,7aS)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SYSTEMATIC NAME: (6S,7R,7aS)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
MOLECULAR FORMULA: C22H19F6NO3
MOLECULAR WEIGHT: 459.381579
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](CN3[C@H]2COC3=O)C4=CC=CC=C4
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Product OPENEYE NAME: 5,8-dichloro-6,7-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CAS Name: 5,8-dichloro-6,7-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
IUPAC NAME: 5,8-dichloro-6,7-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
SYSTEMATIC NAME: 5,8-bis(chloranyl)-N-octyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
MOLECULAR FORMULA: C18H26Cl2N2O2S
MOLECULAR WEIGHT: 405.38224
SMILES: CCCCCCCCNC(=S)N1CCC2=C(C1)C(=C(C(=C2Cl)O)O)Cl
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Product OPENEYE NAME: tert-butyl (2S,3S,4R)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-pyrrolidine-1-carboxylate
CAS Name: (2S,3S,4R)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2S,3S,4R)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S,3S,4R)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C26H29F6NO4
MOLECULAR WEIGHT: 533.503179
SMILES: C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@@H](CN([C@H]2CO)C(=O)OC(C)(C)C)C3=CC=CC=C3
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Product OPENEYE NAME: 3-(5-chlorobenzothiophen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridyl)-4-piperidyl]propanamide
CAS Name: 3-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-N-methyl-N-[1-(2-methyl-4-pyridinyl)-4-piperidinyl]propanamide
IUPAC NAME: 3-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-N-methyl-N-[1-(2-methylpyridin-4-yl)piperidin-4-yl]propanamide
SYSTEMATIC NAME: 3-[(5-chloranyl-1-benzothiophen-2-yl)sulfonyl]-N-methyl-N-[1-(2-methylpyridin-4-yl)piperidin-4-yl]propanamide
MOLECULAR FORMULA: C23H26ClN3O3S2
MOLECULAR WEIGHT: 492.05384
SMILES: CC1=NC=CC(=C1)N2CCC(CC2)N(C)C(=O)CCS(=O)(=O)C3=CC4=C(S3)C=CC(=C4)Cl
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Product OPENEYE NAME: N-methyl-3-[(6-methyl-2-naphthyl)sulfonyl]-N-[1-(2-methyl-4-pyridyl)-4-piperidyl]propanamide
CAS Name: N-methyl-3-[(6-methyl-2-naphthalenyl)sulfonyl]-N-[1-(2-methyl-4-pyridinyl)-4-piperidinyl]propanamide
IUPAC NAME: N-methyl-3-(6-methylnaphthalen-2-yl)sulfonyl-N-[1-(2-methylpyridin-4-yl)piperidin-4-yl]propanamide
SYSTEMATIC NAME: N-methyl-3-(6-methylnaphthalen-2-yl)sulfonyl-N-[1-(2-methylpyridin-4-yl)piperidin-4-yl]propanamide
MOLECULAR FORMULA: C26H31N3O3S
MOLECULAR WEIGHT: 465.60764
SMILES: CC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)CCC(=O)N(C)C3CCN(CC3)C4=CC(=NC=C4)C
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Product OPENEYE NAME: 4-(4-chlorophenyl)-1-(7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-one
CAS Name: 4-(4-chlorophenyl)-1-(7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1-butanone
IUPAC NAME: 4-(4-chlorophenyl)-1-(7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-one
SYSTEMATIC NAME: 1-[7,8-bis(oxidanyl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-4-(4-chlorophenyl)butan-1-one
MOLECULAR FORMULA: C20H22ClNO3
MOLECULAR WEIGHT: 359.84658
SMILES: C1CC2=CC(=C(C=C2CN(C1)C(=O)CCCC3=CC=C(C=C3)Cl)O)O
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Product OPENEYE NAME: 3-bromo-N2-(2-morpholinoethyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[2-(4-morpholinyl)ethyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-(2-morpholin-4-ylethyl)-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-(2-morpholin-4-ylethyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C19H21BrN6O
MOLECULAR WEIGHT: 429.31364
SMILES: C1COCCN1CCNC2=C(C=CC=C2Br)NC3=NC=NC4=C3C=NC=C4
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-bromophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis[(4-bromophenyl)methyl]amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-bromophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-bromophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C56H82Br2N4O3
MOLECULAR WEIGHT: 1019.08328
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7=CC=C(C=C7)Br)CC8=CC=C(C=C8)Br
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