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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IUPAC NAME:
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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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