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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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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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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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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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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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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