Product OPENEYE NAME: 5-(5-amino-2-fluoro-phenyl)-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione
CAS Name: 5-(5-amino-2-fluorophenyl)-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione
IUPAC NAME: 5-(5-amino-2-fluorophenyl)-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione
SYSTEMATIC NAME: 5-(5-azanyl-2-fluoranyl-phenyl)-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione
MOLECULAR FORMULA: C18H23FN2O3
MOLECULAR WEIGHT: 334.385223
SMILES: CCCC(=C1C(=O)CC(CC1=O)C2=C(C=CC(=C2)N)F)NOCC
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Product OPENEYE NAME: 1-[3-[4-[1-(ethoxyamino)butylidene]-3,5-dioxo-cyclohexyl]-4-fluoro-phenyl]-3-methyl-urea
CAS Name: 1-[3-[4-[1-(ethoxyamino)butylidene]-3,5-dioxocyclohexyl]-4-fluorophenyl]-3-methylurea
IUPAC NAME: 1-[3-[4-[1-(ethoxyamino)butylidene]-3,5-dioxocyclohexyl]-4-fluorophenyl]-3-methylurea
SYSTEMATIC NAME: 1-[3-[4-[1-(ethoxyamino)butylidene]-3,5-bis(oxidanylidene)cyclohexyl]-4-fluoranyl-phenyl]-3-methyl-urea
MOLECULAR FORMULA: C20H26FN3O4
MOLECULAR WEIGHT: 391.436543
SMILES: CCCC(=C1C(=O)CC(CC1=O)C2=C(C=CC(=C2)NC(=O)NC)F)NOCC
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Product OPENEYE NAME: [(2S)-3-benzyloxy-2-hydroxy-propyl] 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-3-phenylmethoxypropyl] ester
IUPAC NAME: [(2S)-2-hydroxy-3-phenylmethoxypropyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [(2S)-2-oxidanyl-3-phenylmethoxy-propyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C17H20O5S
MOLECULAR WEIGHT: 336.4027
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](COCC2=CC=CC=C2)O
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Product OPENEYE NAME: [(2R)-3-benzyloxy-2-hydroxy-propyl] 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-3-phenylmethoxypropyl] ester
IUPAC NAME: [(2R)-2-hydroxy-3-phenylmethoxypropyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [(2R)-2-oxidanyl-3-phenylmethoxy-propyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C17H20O5S
MOLECULAR WEIGHT: 336.4027
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](COCC2=CC=CC=C2)O
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Product OPENEYE NAME: methyl 4-hydroxy-1H-indole-6-carboxylate
CAS Name: 4-hydroxy-1H-indole-6-carboxylic acid methyl ester
IUPAC NAME: methyl 4-hydroxy-1H-indole-6-carboxylate
SYSTEMATIC NAME: methyl 4-oxidanyl-1H-indole-6-carboxylate
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: COC(=O)C1=CC2=C(C=CN2)C(=C1)O
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Product OPENEYE NAME: N-benzhydrylpiperidin-4-amine
CAS Name: N-(diphenylmethyl)-4-piperidinamine
IUPAC NAME: N-benzhydrylpiperidin-4-amine
SYSTEMATIC NAME: N-(diphenylmethyl)piperidin-4-amine
MOLECULAR FORMULA: C18H22N2
MOLECULAR WEIGHT: 266.38068
SMILES: C1CNCCC1NC(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propoxy]-2-cyano-indole-1-carboxylate
CAS Name: 2-cyano-4-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]-1-indolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]-2-cyanoindole-1-carboxylate
SYSTEMATIC NAME: ethyl 2-cyano-4-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]indole-1-carboxylate
MOLECULAR FORMULA: C32H34N4O4
MOLECULAR WEIGHT: 538.63676
SMILES: CCOC(=O)N1C2=C(C=C1C#N)C(=CC=C2)OCC(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O
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Product OPENEYE NAME: N-[butyl(phenyl)carbamoyl]-1,1,3-trioxo-1,2-benzothiazole-2-carboxamide
CAS Name: N-[(N-butylanilino)-oxomethyl]-1,1,3-trioxo-1,2-benzothiazole-2-carboxamide
IUPAC NAME: N-[butyl(phenyl)carbamoyl]-1,1,3-trioxo-1,2-benzothiazole-2-carboxamide
SYSTEMATIC NAME: N-[butyl(phenyl)carbamoyl]-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-2-carboxamide
MOLECULAR FORMULA: C19H19N3O5S
MOLECULAR WEIGHT: 401.43626
SMILES: CCCCN(C1=CC=CC=C1)C(=O)NC(=O)N2C(=O)C3=CC=CC=C3S2(=O)=O
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Product OPENEYE NAME: phenyl N-(1,1,3-trioxo-1,2-benzothiazole-2-carbonyl)carbamate
CAS Name: N-[oxo-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]carbamic acid phenyl ester
IUPAC NAME: phenyl N-(1,1,3-trioxo-1,2-benzothiazole-2-carbonyl)carbamate
SYSTEMATIC NAME: phenyl N-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]carbonyl]carbamate
MOLECULAR FORMULA: C15H10N2O6S
MOLECULAR WEIGHT: 346.3147
SMILES: C1=CC=C(C=C1)OC(=O)NC(=O)N2C(=O)C3=CC=CC=C3S2(=O)=O
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Product OPENEYE NAME: butyl N-(1,1,3-trioxo-1,2-benzothiazole-2-carbonyl)carbamate
CAS Name: N-[oxo-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]carbamic acid butyl ester
IUPAC NAME: butyl N-(1,1,3-trioxo-1,2-benzothiazole-2-carbonyl)carbamate
SYSTEMATIC NAME: butyl N-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]carbonyl]carbamate
MOLECULAR FORMULA: C13H14N2O6S
MOLECULAR WEIGHT: 326.32506
SMILES: CCCCOC(=O)NC(=O)N1C(=O)C2=CC=CC=C2S1(=O)=O
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Product OPENEYE NAME: 3,3-dichloro-1-(2,4-dichloro-5-fluoro-phenyl)prop-2-en-1-one
CAS Name: 3,3-dichloro-1-(2,4-dichloro-5-fluorophenyl)-2-propen-1-one
IUPAC NAME: 3,3-dichloro-1-(2,4-dichloro-5-fluorophenyl)prop-2-en-1-one
SYSTEMATIC NAME: 1-[2,4-bis(chloranyl)-5-fluoranyl-phenyl]-3,3-bis(chloranyl)prop-2-en-1-one
MOLECULAR FORMULA: C9H3Cl4FO
MOLECULAR WEIGHT: 287.929923
SMILES: C1=C(C(=CC(=C1F)Cl)Cl)C(=O)C=C(Cl)Cl
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Product OPENEYE NAME: ethyl 7-amino-4-isopropoxy-5-(2-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CAS Name: 7-amino-5-(2-methoxyphenyl)-4-propan-2-yloxy-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 7-amino-5-(2-methoxyphenyl)-4-propan-2-yloxy-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 7-azanyl-5-(2-methoxyphenyl)-4-propan-2-yloxy-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C20H24N4O4
MOLECULAR WEIGHT: 384.42896
SMILES: CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OC)C(=NC=N2)OC(C)C)N
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Product OPENEYE NAME: tert-butyl N-[1-[[(1-benzyl-2-hydroxy-ethyl)amino]methyl]-2-methyl-butyl]carbamate
CAS Name: N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methylpentan-2-yl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methylpentan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[3-methyl-1-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]pentan-2-yl]carbamate
MOLECULAR FORMULA: C20H34N2O3
MOLECULAR WEIGHT: 350.49556
SMILES: CCC(C)C(CNC(CC1=CC=CC=C1)CO)NC(=O)OC(C)(C)C
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Product OPENEYE NAME: methyl (2R)-2-amino-6-(tert-butoxycarbonylamino)hexanoate
CAS Name: (2R)-2-amino-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
SYSTEMATIC NAME: methyl (2R)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
MOLECULAR FORMULA: C12H24N2O4
MOLECULAR WEIGHT: 260.32996
SMILES: CC(C)(C)OC(=O)NCCCC[C@H](C(=O)OC)N
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Product OPENEYE NAME: 1-[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carboxylic acid
CAS Name: 1-[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinecarboxylic acid
IUPAC NAME: 1-[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[2-[[2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C21H34N6O6
MOLECULAR WEIGHT: 466.53126
SMILES: CC(C)CC(C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)O)NC(=O)C(CC2=CN=CN2)N
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Product OPENEYE NAME: 1-methyl-5-pyrimidin-4-yl-pyridin-2-one
CAS Name: 1-methyl-5-(4-pyrimidinyl)-2-pyridinone
IUPAC NAME: 1-methyl-5-pyrimidin-4-ylpyridin-2-one
SYSTEMATIC NAME: 1-methyl-5-pyrimidin-4-yl-pyridin-2-one
MOLECULAR FORMULA: C10H9N3O
MOLECULAR WEIGHT: 187.19796
SMILES: CN1C=C(C=CC1=O)C2=NC=NC=C2
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Product OPENEYE NAME: 3-bromo-1-methyl-5-pyrimidin-4-yl-pyridin-2-one
CAS Name: 3-bromo-1-methyl-5-(4-pyrimidinyl)-2-pyridinone
IUPAC NAME: 3-bromo-1-methyl-5-pyrimidin-4-ylpyridin-2-one
SYSTEMATIC NAME: 3-bromanyl-1-methyl-5-pyrimidin-4-yl-pyridin-2-one
MOLECULAR FORMULA: C10H8BrN3O
MOLECULAR WEIGHT: 266.09402
SMILES: CN1C=C(C=C(C1=O)Br)C2=NC=NC=C2
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Product OPENEYE NAME: 3-bromo-1-ethyl-5-pyrimidin-4-yl-pyridin-2-one
CAS Name: 3-bromo-1-ethyl-5-(4-pyrimidinyl)-2-pyridinone
IUPAC NAME: 3-bromo-1-ethyl-5-pyrimidin-4-ylpyridin-2-one
SYSTEMATIC NAME: 3-bromanyl-1-ethyl-5-pyrimidin-4-yl-pyridin-2-one
MOLECULAR FORMULA: C11H10BrN3O
MOLECULAR WEIGHT: 280.1206
SMILES: CCN1C=C(C=C(C1=O)Br)C2=NC=NC=C2
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Product OPENEYE NAME: 1-benzyl-3-bromo-5-pyrimidin-4-yl-pyridin-2-one
CAS Name: 3-bromo-1-(phenylmethyl)-5-(4-pyrimidinyl)-2-pyridinone
IUPAC NAME: 1-benzyl-3-bromo-5-pyrimidin-4-ylpyridin-2-one
SYSTEMATIC NAME: 3-bromanyl-1-(phenylmethyl)-5-pyrimidin-4-yl-pyridin-2-one
MOLECULAR FORMULA: C16H12BrN3O
MOLECULAR WEIGHT: 342.18998
SMILES: C1=CC=C(C=C1)CN2C=C(C=C(C2=O)Br)C3=NC=NC=C3
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Product OPENEYE NAME: 1-methyl-5-pyrazin-2-yl-pyridin-2-one
CAS Name: 1-methyl-5-(2-pyrazinyl)-2-pyridinone
IUPAC NAME: 1-methyl-5-pyrazin-2-ylpyridin-2-one
SYSTEMATIC NAME: 1-methyl-5-pyrazin-2-yl-pyridin-2-one
MOLECULAR FORMULA: C10H9N3O
MOLECULAR WEIGHT: 187.19796
SMILES: CN1C=C(C=CC1=O)C2=NC=CN=C2
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Product OPENEYE NAME: 3-bromo-1-methyl-5-pyrazin-2-yl-pyridin-2-one
CAS Name: 3-bromo-1-methyl-5-(2-pyrazinyl)-2-pyridinone
IUPAC NAME: 3-bromo-1-methyl-5-pyrazin-2-ylpyridin-2-one
SYSTEMATIC NAME: 3-bromanyl-1-methyl-5-pyrazin-2-yl-pyridin-2-one
MOLECULAR FORMULA: C10H8BrN3O
MOLECULAR WEIGHT: 266.09402
SMILES: CN1C=C(C=C(C1=O)Br)C2=NC=CN=C2
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Product OPENEYE NAME: 3-chloro-1-methyl-5-pyrazin-2-yl-pyridin-2-one
CAS Name: 3-chloro-1-methyl-5-(2-pyrazinyl)-2-pyridinone
IUPAC NAME: 3-chloro-1-methyl-5-pyrazin-2-ylpyridin-2-one
SYSTEMATIC NAME: 3-chloranyl-1-methyl-5-pyrazin-2-yl-pyridin-2-one
MOLECULAR FORMULA: C10H8ClN3O
MOLECULAR WEIGHT: 221.64302
SMILES: CN1C=C(C=C(C1=O)Cl)C2=NC=CN=C2
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Product OPENEYE NAME: 1-ethyl-5-pyrazin-2-yl-pyridin-2-one
CAS Name: 1-ethyl-5-(2-pyrazinyl)-2-pyridinone
IUPAC NAME: 1-ethyl-5-pyrazin-2-ylpyridin-2-one
SYSTEMATIC NAME: 1-ethyl-5-pyrazin-2-yl-pyridin-2-one
MOLECULAR FORMULA: C11H11N3O
MOLECULAR WEIGHT: 201.22454
SMILES: CCN1C=C(C=CC1=O)C2=NC=CN=C2
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