Monday, January 23, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[[4-(4-ethoxyphenyl)-5-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methoxy-benzamide
CAS Name: N-[[5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide
IUPAC NAME: N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide
SYSTEMATIC NAME: N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-methoxy-benzamide
MOLECULAR FORMULA: C29H29N5O4S
MOLECULAR WEIGHT: 543.63666
SMILES: CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C43)CNC(=O)C5=CC=CC=C5OC
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Product OPENEYE NAME: 4-(4H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)morpholin-4-ium
CAS Name: 4-(4H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)morpholin-4-ium
IUPAC NAME: 4-(4H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)morpholin-4-ium
SYSTEMATIC NAME: 4-(4H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)morpholin-4-ium
MOLECULAR FORMULA: C12H17N3O+2
MOLECULAR WEIGHT: 219.28288
SMILES: C1COCC[NH+]1CC2=C[NH+]3C=CC=CC3=N2
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Product OPENEYE NAME: N-[2-(2-cyanoethylsulfanyl)phenyl]-3-oxo-benzo[f]chromene-2-carboxamide
CAS Name: N-[2-(2-cyanoethylthio)phenyl]-3-oxo-2-benzo[f][1]benzopyrancarboxamide
IUPAC NAME: N-[2-(2-cyanoethylsulfanyl)phenyl]-3-oxobenzo[f]chromene-2-carboxamide
SYSTEMATIC NAME: N-[2-(2-cyanoethylsulfanyl)phenyl]-3-oxidanylidene-benzo[f]chromene-2-carboxamide
MOLECULAR FORMULA: C23H16N2O3S
MOLECULAR WEIGHT: 400.44974
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C(=O)NC4=CC=CC=C4SCCC#N
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Product OPENEYE NAME: 2-[2-(2-methylanilino)-2-oxo-ethyl]sulfanylbenzoic acid
CAS Name: 2-[[2-(2-methylanilino)-2-oxoethyl]thio]benzoic acid
IUPAC NAME: 2-[2-(2-methylanilino)-2-oxoethyl]sulfanylbenzoic acid
SYSTEMATIC NAME: 2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid
MOLECULAR FORMULA: C16H15NO3S
MOLECULAR WEIGHT: 301.3602
SMILES: CC1=CC=CC=C1NC(=O)CSC2=CC=CC=C2C(=O)O
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Product OPENEYE NAME: 4-[[2-cyano-2-[4-(3,4-dichlorophenyl)thiazol-2-yl]vinyl]amino]benzamide
CAS Name: 4-[[2-cyano-2-[4-(3,4-dichlorophenyl)-2-thiazolyl]ethenyl]amino]benzamide
IUPAC NAME: 4-[[2-cyano-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide
SYSTEMATIC NAME: 4-[[2-cyano-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide
MOLECULAR FORMULA: C19H12Cl2N4OS
MOLECULAR WEIGHT: 415.29578
SMILES: C1=CC(=CC=C1C(=O)N)NC=C(C#N)C2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N-cycloheptyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide
CAS Name: N-cycloheptyl-4-oxo-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
IUPAC NAME: N-cycloheptyl-4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
SYSTEMATIC NAME: N-cycloheptyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
MOLECULAR FORMULA: C21H27N3O3S
MOLECULAR WEIGHT: 401.52238
SMILES: C1CCCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4
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Product OPENEYE NAME: 2-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CAS Name: 2-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
IUPAC NAME: 2-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SYSTEMATIC NAME: 2-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
MOLECULAR FORMULA: C22H15Cl3N2O
MOLECULAR WEIGHT: 429.7263
SMILES: C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CC=C4Cl)C5=C(C=C(C=C5)Cl)Cl
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Product OPENEYE NAME: N-[[2-[(3-bromophenyl)methoxy]phenyl]methyleneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CAS Name: N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-4-(2,5-dimethyl-1-pyrrolyl)benzamide
IUPAC NAME: N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
SYSTEMATIC NAME: N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
MOLECULAR FORMULA: C27H24BrN3O2
MOLECULAR WEIGHT: 502.40236
SMILES: CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=C3OCC4=CC(=CC=C4)Br)C
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Product OPENEYE NAME: 3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CAS Name: 3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: 3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: 3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CC1=C(C=C(C=C1)C2=NNC(=O)CC2)C
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Product OPENEYE NAME: N-[(3-anilino-1-methyl-3-oxo-propylidene)amino]-4-ethoxy-benzamide
CAS Name: N-[(4-anilino-4-oxobutan-2-ylidene)amino]-4-ethoxybenzamide
IUPAC NAME: N-[(4-anilino-4-oxobutan-2-ylidene)amino]-4-ethoxybenzamide
SYSTEMATIC NAME: 4-ethoxy-N-[(4-oxidanylidene-4-phenylazanyl-butan-2-ylidene)amino]benzamide
MOLECULAR FORMULA: C19H21N3O3
MOLECULAR WEIGHT: 339.38834
SMILES: CCOC1=CC=C(C=C1)C(=O)NN=C(C)CC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: [2-methoxy-4-[[2-(1-naphthyloxy)propanoylhydrazono]methyl]phenyl] 3-chlorobenzothiophene-2-carboxylate
CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-methoxy-4-[[[2-(1-naphthalenyloxy)-1-oxopropyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [2-methoxy-4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [2-methoxy-4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C30H23ClN2O5S
MOLECULAR WEIGHT: 559.03202
SMILES: CC(C(=O)NN=CC1=CC(=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC)OC4=CC=CC5=CC=CC=C54
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