Friday, January 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
CAS Name: N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
IUPAC NAME: N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
SYSTEMATIC NAME: N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
MOLECULAR FORMULA: C11H18N2O2S
MOLECULAR WEIGHT: 242.33782
SMILES: CN(C)CCNC1=CC=C(C=C1)S(=O)(=O)C
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Product OPENEYE NAME: N-(4-tert-butylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CAS Name: N-(4-tert-butylphenyl)-3-(4-chlorophenyl)-2-propenamide
IUPAC NAME: N-(4-tert-butylphenyl)-3-(4-chlorophenyl)prop-2-enamide
SYSTEMATIC NAME: N-(4-tert-butylphenyl)-3-(4-chlorophenyl)prop-2-enamide
MOLECULAR FORMULA: C19H20ClNO
MOLECULAR WEIGHT: 313.8212
SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)C=CC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [4-bromo-2-[[(2,4-dichlorobenzoyl)hydrazono]methyl]phenyl] 2,2-dimethylpropanoate
CAS Name: 2,2-dimethylpropanoic acid [4-bromo-2-[[[(2,4-dichlorophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-bromo-2-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [4-bromanyl-2-[[(2,4-dichlorophenyl)carbonylhydrazinylidene]methyl]phenyl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C19H17BrCl2N2O3
MOLECULAR WEIGHT: 472.15988
SMILES: CC(C)(C)C(=O)OC1=C(C=C(C=C1)Br)C=NNC(=O)C2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 3-[4-(3-carboxypropanoylamino)phenyl]sulfonylthiazolidine-2-carboxylic acid
CAS Name: 3-[4-[(3-carboxy-1-oxopropyl)amino]phenyl]sulfonyl-2-thiazolidinecarboxylic acid
IUPAC NAME: 3-[4-(3-carboxypropanoylamino)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid
SYSTEMATIC NAME: 3-[4-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid
MOLECULAR FORMULA: C14H16N2O7S2
MOLECULAR WEIGHT: 388.41604
SMILES: C1CSC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O)C(=O)O
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Product OPENEYE NAME: 3,4-dibutoxy-N-isopropyl-benzamide
CAS Name: 3,4-dibutoxy-N-propan-2-ylbenzamide
IUPAC NAME: 3,4-dibutoxy-N-propan-2-ylbenzamide
SYSTEMATIC NAME: 3,4-dibutoxy-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C18H29NO3
MOLECULAR WEIGHT: 307.42776
SMILES: CCCCOC1=C(C=C(C=C1)C(=O)NC(C)C)OCCCC
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Product OPENEYE NAME: 8-methyl-7-[[(4-phenylthiazol-2-yl)amino]methyl]-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
CAS Name: 8-methyl-7-[[(4-phenyl-2-thiazolyl)amino]methyl]-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
IUPAC NAME: 8-methyl-7-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
SYSTEMATIC NAME: 8-methyl-7-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
MOLECULAR FORMULA: C16H14N6OS
MOLECULAR WEIGHT: 338.38696
SMILES: CC1=C(C(=O)NN2C1=NN=C2)CNC3=NC(=CS3)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(4-chlorophenyl)pyrazolidine-3,5-dione
CAS Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(4-chlorophenyl)pyrazolidine-3,5-dione
IUPAC NAME: 4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(4-chlorophenyl)pyrazolidine-3,5-dione
SYSTEMATIC NAME: 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methylidene]-1-(4-chlorophenyl)pyrazolidine-3,5-dione
MOLECULAR FORMULA: C17H10Cl2N2O4
MOLECULAR WEIGHT: 377.1783
SMILES: C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)NN(C3=O)C4=CC=C(C=C4)Cl)Cl
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Product OPENEYE NAME: dicyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium
CAS Name: dicyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium
IUPAC NAME: dicyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SYSTEMATIC NAME: dicyclohexyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium
MOLECULAR FORMULA: C23H37N2O+
MOLECULAR WEIGHT: 357.55268
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](C2CCCCC2)C3CCCCC3)C
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Product OPENEYE NAME: N-decyl-2-[2-(decylamino)-2-oxo-ethoxy]acetamide
CAS Name: N-decyl-2-[2-(decylamino)-2-oxoethoxy]acetamide
IUPAC NAME: N-decyl-2-[2-(decylamino)-2-oxoethoxy]acetamide
SYSTEMATIC NAME: N-decyl-2-[2-(decylamino)-2-oxidanylidene-ethoxy]ethanamide
MOLECULAR FORMULA: C24H48N2O3
MOLECULAR WEIGHT: 412.64952
SMILES: CCCCCCCCCCNC(=O)COCC(=O)NCCCCCCCCCC
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Product OPENEYE NAME: (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(4-fluorophenyl)methanone
CAS Name: (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(4-fluorophenyl)methanone
IUPAC NAME: (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(4-fluorophenyl)methanone
SYSTEMATIC NAME: (1-azanyl-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(4-fluorophenyl)methanone
MOLECULAR FORMULA: C20H19FN2OS
MOLECULAR WEIGHT: 354.441063
SMILES: CCC1=C2CCCCC2=C3C(=C(SC3=N1)C(=O)C4=CC=C(C=C4)F)N
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Product OPENEYE NAME: 2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CAS Name: 2-(2,4-dimethylphenyl)-N-[2-[[[2-(2,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]amino]phenyl]-4-quinolinecarboxamide
IUPAC NAME: 2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonylamino]phenyl]quinoline-4-carboxamide
MOLECULAR FORMULA: C42H34N4O2
MOLECULAR WEIGHT: 626.74496
SMILES: CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4NC(=O)C5=CC(=NC6=CC=CC=C65)C7=C(C=C(C=C7)C)C)C
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Product OPENEYE NAME: N-(4-nitrophenyl)-5-oxo-thiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: N-(4-nitrophenyl)-5-oxo-6-thiazolo[3,2-a]pyrimidinecarboxamide
IUPAC NAME: N-(4-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-(4-nitrophenyl)-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C13H8N4O4S
MOLECULAR WEIGHT: 316.29202
SMILES: C1=CC(=CC=C1NC(=O)C2=CN=C3N(C2=O)C=CS3)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 5-(butanoylamino)-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate
CAS Name: 3-(4-methylphenyl)-4-oxo-5-(1-oxobutylamino)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-(butanoylamino)-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
SYSTEMATIC NAME: ethyl 5-(butanoylamino)-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate
MOLECULAR FORMULA: C20H21N3O4S
MOLECULAR WEIGHT: 399.46344
SMILES: CCCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)C)C(=O)OCC
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Product OPENEYE NAME: ethyl 3-(4-methoxyphenyl)-4-oxo-5-[[2-(4-phenylphenyl)acetyl]amino]thieno[3,4-d]pyridazine-1-carboxylate
CAS Name: 3-(4-methoxyphenyl)-4-oxo-5-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-(4-methoxyphenyl)-4-oxo-5-[[2-(4-phenylphenyl)acetyl]amino]thieno[3,4-d]pyridazine-1-carboxylate
SYSTEMATIC NAME: ethyl 3-(4-methoxyphenyl)-4-oxidanylidene-5-[2-(4-phenylphenyl)ethanoylamino]thieno[3,4-d]pyridazine-1-carboxylate
MOLECULAR FORMULA: C30H25N3O5S
MOLECULAR WEIGHT: 539.6016
SMILES: CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OC
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