Saturday, April 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[(1S)-1-(benzylamino)-2,2,2-trichloro-ethyl]-2-methyl-benzamide
CAS Name: 2-methyl-N-[(1S)-2,2,2-trichloro-1-[(phenylmethyl)amino]ethyl]benzamide
IUPAC NAME: N-[(1S)-1-(benzylamino)-2,2,2-trichloroethyl]-2-methylbenzamide
SYSTEMATIC NAME: 2-methyl-N-[(1S)-2,2,2-tris(chloranyl)-1-[(phenylmethyl)amino]ethyl]benzamide
MOLECULAR FORMULA: C17H17Cl3N2O
MOLECULAR WEIGHT: 371.68868
SMILES: CC1=CC=CC=C1C(=O)N[C@@H](C(Cl)(Cl)Cl)NCC2=CC=CC=C2
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Product OPENEYE NAME: N-[(1R)-1-(benzylamino)-2,2,2-trichloro-ethyl]-2-methyl-benzamide
CAS Name: 2-methyl-N-[(1R)-2,2,2-trichloro-1-[(phenylmethyl)amino]ethyl]benzamide
IUPAC NAME: N-[(1R)-1-(benzylamino)-2,2,2-trichloroethyl]-2-methylbenzamide
SYSTEMATIC NAME: 2-methyl-N-[(1R)-2,2,2-tris(chloranyl)-1-[(phenylmethyl)amino]ethyl]benzamide
MOLECULAR FORMULA: C17H17Cl3N2O
MOLECULAR WEIGHT: 371.68868
SMILES: CC1=CC=CC=C1C(=O)N[C@H](C(Cl)(Cl)Cl)NCC2=CC=CC=C2
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Product OPENEYE NAME: 2-methyl-N-[(1S)-2,2,2-trichloro-1-phenylsulfanyl-ethyl]benzamide
CAS Name: 2-methyl-N-[(1S)-2,2,2-trichloro-1-(phenylthio)ethyl]benzamide
IUPAC NAME: 2-methyl-N-[(1S)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide
SYSTEMATIC NAME: 2-methyl-N-[(1S)-2,2,2-tris(chloranyl)-1-phenylsulfanyl-ethyl]benzamide
MOLECULAR FORMULA: C16H14Cl3NOS
MOLECULAR WEIGHT: 374.71246
SMILES: CC1=CC=CC=C1C(=O)N[C@H](C(Cl)(Cl)Cl)SC2=CC=CC=C2
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Product OPENEYE NAME: 2-methyl-N-[(1R)-2,2,2-trichloro-1-phenylsulfanyl-ethyl]benzamide
CAS Name: 2-methyl-N-[(1R)-2,2,2-trichloro-1-(phenylthio)ethyl]benzamide
IUPAC NAME: 2-methyl-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide
SYSTEMATIC NAME: 2-methyl-N-[(1R)-2,2,2-tris(chloranyl)-1-phenylsulfanyl-ethyl]benzamide
MOLECULAR FORMULA: C16H14Cl3NOS
MOLECULAR WEIGHT: 374.71246
SMILES: CC1=CC=CC=C1C(=O)N[C@@H](C(Cl)(Cl)Cl)SC2=CC=CC=C2
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Product OPENEYE NAME: 2-methyl-N-[(1S)-2,2,2-trichloro-1-(m-tolylcarbamothioylamino)ethyl]benzamide
CAS Name: 2-methyl-N-[(1S)-2,2,2-trichloro-1-[[(3-methylanilino)-sulfanylidenemethyl]amino]ethyl]benzamide
IUPAC NAME: 2-methyl-N-[(1S)-2,2,2-trichloro-1-[(3-methylphenyl)carbamothioylamino]ethyl]benzamide
SYSTEMATIC NAME: 2-methyl-N-[(1S)-2,2,2-tris(chloranyl)-1-[(3-methylphenyl)carbamothioylamino]ethyl]benzamide
MOLECULAR FORMULA: C18H18Cl3N3OS
MOLECULAR WEIGHT: 430.77902
SMILES: CC1=CC(=CC=C1)NC(=S)N[C@@H](C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2C
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Product OPENEYE NAME: 2-methyl-N-[(1R)-2,2,2-trichloro-1-(m-tolylcarbamothioylamino)ethyl]benzamide
CAS Name: 2-methyl-N-[(1R)-2,2,2-trichloro-1-[[(3-methylanilino)-sulfanylidenemethyl]amino]ethyl]benzamide
IUPAC NAME: 2-methyl-N-[(1R)-2,2,2-trichloro-1-[(3-methylphenyl)carbamothioylamino]ethyl]benzamide
SYSTEMATIC NAME: 2-methyl-N-[(1R)-2,2,2-tris(chloranyl)-1-[(3-methylphenyl)carbamothioylamino]ethyl]benzamide
MOLECULAR FORMULA: C18H18Cl3N3OS
MOLECULAR WEIGHT: 430.77902
SMILES: CC1=CC(=CC=C1)NC(=S)N[C@H](C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2C
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Product OPENEYE NAME: 2-methyl-N-[(1R)-2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]benzamide
CAS Name: 2-methyl-N-[(1R)-2,2,2-trichloro-1-[[4-morpholinyl(sulfanylidene)methyl]amino]ethyl]benzamide
IUPAC NAME: 2-methyl-N-[(1R)-2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]benzamide
SYSTEMATIC NAME: 2-methyl-N-[(1R)-2,2,2-tris(chloranyl)-1-(morpholin-4-ylcarbothioylamino)ethyl]benzamide
MOLECULAR FORMULA: C15H18Cl3N3O2S
MOLECULAR WEIGHT: 410.74632
SMILES: CC1=CC=CC=C1C(=O)N[C@@H](C(Cl)(Cl)Cl)NC(=S)N2CCOCC2
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Product OPENEYE NAME: 2-methyl-N-[(1S)-2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]benzamide
CAS Name: 2-methyl-N-[(1S)-2,2,2-trichloro-1-[[4-morpholinyl(sulfanylidene)methyl]amino]ethyl]benzamide
IUPAC NAME: 2-methyl-N-[(1S)-2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]benzamide
SYSTEMATIC NAME: 2-methyl-N-[(1S)-2,2,2-tris(chloranyl)-1-(morpholin-4-ylcarbothioylamino)ethyl]benzamide
MOLECULAR FORMULA: C15H18Cl3N3O2S
MOLECULAR WEIGHT: 410.74632
SMILES: CC1=CC=CC=C1C(=O)N[C@H](C(Cl)(Cl)Cl)NC(=S)N2CCOCC2
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Product OPENEYE NAME: 2-[(4-chlorophenyl)methylene]-5-phenyl-1,3-dithiane 1,1,3,3-tetraoxide
CAS Name: 2-[(4-chlorophenyl)methylidene]-5-phenyl-1,3-dithiane 1,1,3,3-tetraoxide
IUPAC NAME: 2-[(4-chlorophenyl)methylidene]-5-phenyl-1,3-dithiane 1,1,3,3-tetraoxide
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylidene]-5-phenyl-1,3-dithiane 1,1,3,3-tetraoxide
MOLECULAR FORMULA: C17H15ClO4S2
MOLECULAR WEIGHT: 382.8816
SMILES: C1C(CS(=O)(=O)C(=CC2=CC=C(C=C2)Cl)S1(=O)=O)C3=CC=CC=C3
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Product OPENEYE NAME: 5-tert-butyl-N-(2-chloro-1,1-dimethyl-ethyl)-4-methyl-thiazol-2-amine
CAS Name: 5-tert-butyl-N-(1-chloro-2-methylpropan-2-yl)-4-methyl-2-thiazolamine
IUPAC NAME: 5-tert-butyl-N-(1-chloro-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-tert-butyl-N-(1-chloranyl-2-methyl-propan-2-yl)-4-methyl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C12H21ClN2S
MOLECULAR WEIGHT: 260.82654
SMILES: CC1=C(SC(=N1)NC(C)(C)CCl)C(C)(C)C
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Product OPENEYE NAME: N-[(1S)-2,2,2-trichloro-1-(2,4,6-trichloroanilino)ethyl]propanamide
CAS Name: N-[(1S)-2,2,2-trichloro-1-(2,4,6-trichloroanilino)ethyl]propanamide
IUPAC NAME: N-[(1S)-2,2,2-trichloro-1-(2,4,6-trichloroanilino)ethyl]propanamide
SYSTEMATIC NAME: N-[(1S)-2,2,2-tris(chloranyl)-1-[[2,4,6-tris(chloranyl)phenyl]amino]ethyl]propanamide
MOLECULAR FORMULA: C11H10Cl6N2O
MOLECULAR WEIGHT: 398.9279
SMILES: CCC(=O)N[C@@H](C(Cl)(Cl)Cl)NC1=C(C=C(C=C1Cl)Cl)Cl
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Product OPENEYE NAME: N-[(1R)-2,2,2-trichloro-1-(2,4,6-trichloroanilino)ethyl]propanamide
CAS Name: N-[(1R)-2,2,2-trichloro-1-(2,4,6-trichloroanilino)ethyl]propanamide
IUPAC NAME: N-[(1R)-2,2,2-trichloro-1-(2,4,6-trichloroanilino)ethyl]propanamide
SYSTEMATIC NAME: N-[(1R)-2,2,2-tris(chloranyl)-1-[[2,4,6-tris(chloranyl)phenyl]amino]ethyl]propanamide
MOLECULAR FORMULA: C11H10Cl6N2O
MOLECULAR WEIGHT: 398.9279
SMILES: CCC(=O)N[C@H](C(Cl)(Cl)Cl)NC1=C(C=C(C=C1Cl)Cl)Cl
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Product OPENEYE NAME: (6S,9R)-6-(2,5-dimethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CAS Name: (6S,9R)-6-(2,5-dimethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6S,9R)-6-(2,5-dimethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6S,9R)-6-(2,5-dimethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C28H28N2O4
MOLECULAR WEIGHT: 456.53292
SMILES: COC1=CC=C(C=C1)[C@@H]2CC3=C([C@@H](NC4=CC=CC=C4N3)C5=C(C=CC(=C5)OC)OC)C(=O)C2
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Product OPENEYE NAME: (6S,9R)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CAS Name: (6S,9R)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6S,9R)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6S,9R)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C28H28N2O3
MOLECULAR WEIGHT: 440.53352
SMILES: CCOC1=CC=C(C=C1)[C@H]2C3=C(C[C@H](CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2
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Product OPENEYE NAME: (6R,9R)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CAS Name: (6R,9R)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6R,9R)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6R,9R)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C28H28N2O3
MOLECULAR WEIGHT: 440.53352
SMILES: CCOC1=CC=C(C=C1)[C@@H]2C3=C(C[C@H](CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2
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Product OPENEYE NAME: (6S,9S)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CAS Name: (6S,9S)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6S,9S)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6S,9S)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C28H28N2O3
MOLECULAR WEIGHT: 440.53352
SMILES: CCOC1=CC=C(C=C1)[C@H]2C3=C(C[C@@H](CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2
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Product OPENEYE NAME: (6R,9S)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CAS Name: (6R,9S)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6R,9S)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6R,9S)-6-(4-ethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C28H28N2O3
MOLECULAR WEIGHT: 440.53352
SMILES: CCOC1=CC=C(C=C1)[C@@H]2C3=C(C[C@@H](CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2
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Product OPENEYE NAME: (4R,7R)-4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CAS Name: (4R,7R)-4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
IUPAC NAME: (4R,7R)-4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: (4R,7R)-4-(2-bromophenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C23H19BrN2O
MOLECULAR WEIGHT: 419.31376
SMILES: CC1=C([C@H](C2=C(N1)C[C@H](CC2=O)C3=CC=CC=C3)C4=CC=CC=C4Br)C#N
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Product OPENEYE NAME: (4S,7R)-4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CAS Name: (4S,7R)-4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
IUPAC NAME: (4S,7R)-4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: (4S,7R)-4-(2-bromophenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C23H19BrN2O
MOLECULAR WEIGHT: 419.31376
SMILES: CC1=C([C@@H](C2=C(N1)C[C@H](CC2=O)C3=CC=CC=C3)C4=CC=CC=C4Br)C#N
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Product OPENEYE NAME: (4R,7S)-4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CAS Name: (4R,7S)-4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
IUPAC NAME: (4R,7S)-4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: (4R,7S)-4-(2-bromophenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C23H19BrN2O
MOLECULAR WEIGHT: 419.31376
SMILES: CC1=C([C@H](C2=C(N1)C[C@@H](CC2=O)C3=CC=CC=C3)C4=CC=CC=C4Br)C#N
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Product OPENEYE NAME: (4S,7S)-4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CAS Name: (4S,7S)-4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
IUPAC NAME: (4S,7S)-4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: (4S,7S)-4-(2-bromophenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C23H19BrN2O
MOLECULAR WEIGHT: 419.31376
SMILES: CC1=C([C@@H](C2=C(N1)C[C@@H](CC2=O)C3=CC=CC=C3)C4=CC=CC=C4Br)C#N
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Product OPENEYE NAME: methyl (4S,7R)-4-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4S,7R)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S,7R)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4S,7R)-4-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C27H28ClNO6
MOLECULAR WEIGHT: 497.96732
SMILES: CCOC1=C(C(=CC(=C1)[C@H]2C3=C(C[C@H](CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC)C)Cl)O
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