Friday, December 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2,6-dichloro-4-[3-[(4-chlorophenyl)methylamino]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[(4-chlorophenyl)methylamino]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[(4-chlorophenyl)methylamino]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[(4-chlorophenyl)methylamino]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C16H11Cl3N4O
MOLECULAR WEIGHT: 381.64374
SMILES: C1=CC(=CC=C1CNC2=NNC(=C3C=C(C(=O)C(=C3)Cl)Cl)C=N2)Cl
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Product OPENEYE NAME: 2-morpholinoethyl 5-[[(2R)-1-[4-[(1R)-1-hydroxyheptyl]phenyl]-5-oxo-pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
CAS Name: 5-[[(2R)-1-[4-[(1R)-1-hydroxyheptyl]phenyl]-5-oxo-2-pyrrolidinyl]methoxymethyl]-2-thiophenecarboxylic acid 2-(4-morpholinyl)ethyl ester
IUPAC NAME: 2-morpholin-4-ylethyl 5-[[(2R)-1-[4-[(1R)-1-hydroxyheptyl]phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 5-[[(2R)-1-[4-[(1R)-1-oxidanylheptyl]phenyl]-5-oxidanylidene-pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C30H42N2O6S
MOLECULAR WEIGHT: 558.72928
SMILES: CCCCCC[C@H](C1=CC=C(C=C1)N2[C@H](CCC2=O)COCC3=CC=C(S3)C(=O)OCCN4CCOCC4)O
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Product OPENEYE NAME: 2-hydroxyethyl 5-[[(2R)-1-[4-[(1R)-1-hydroxyheptyl]phenyl]-5-oxo-pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
CAS Name: 5-[[(2R)-1-[4-[(1R)-1-hydroxyheptyl]phenyl]-5-oxo-2-pyrrolidinyl]methoxymethyl]-2-thiophenecarboxylic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 5-[[(2R)-1-[4-[(1R)-1-hydroxyheptyl]phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-hydroxyethyl 5-[[(2R)-1-[4-[(1R)-1-oxidanylheptyl]phenyl]-5-oxidanylidene-pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C26H35NO6S
MOLECULAR WEIGHT: 489.6242
SMILES: CCCCCC[C@H](C1=CC=C(C=C1)N2[C@H](CCC2=O)COCC3=CC=C(S3)C(=O)OCCO)O
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Product OPENEYE NAME: 2-hydroxyethyl 5-[3-[(2S)-1-[4-(1-hydroxyheptyl)phenyl]-5-oxo-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate
CAS Name: 5-[3-[(2S)-1-[4-(1-hydroxyheptyl)phenyl]-5-oxo-2-pyrrolidinyl]propyl]-2-thiophenecarboxylic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 5-[3-[(2S)-1-[4-(1-hydroxyheptyl)phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-hydroxyethyl 5-[3-[(2S)-1-[4-(1-oxidanylheptyl)phenyl]-5-oxidanylidene-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C27H37NO5S
MOLECULAR WEIGHT: 487.65138
SMILES: CCCCCCC(C1=CC=C(C=C1)N2[C@H](CCC2=O)CCCC3=CC=C(S3)C(=O)OCCO)O
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Product OPENEYE NAME: 2-morpholinoethyl 5-[3-[(2S)-1-[4-(1-hydroxyheptyl)phenyl]-5-oxo-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate
CAS Name: 5-[3-[(2S)-1-[4-(1-hydroxyheptyl)phenyl]-5-oxo-2-pyrrolidinyl]propyl]-2-thiophenecarboxylic acid 2-(4-morpholinyl)ethyl ester
IUPAC NAME: 2-morpholin-4-ylethyl 5-[3-[(2S)-1-[4-(1-hydroxyheptyl)phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 5-[3-[(2S)-1-[4-(1-oxidanylheptyl)phenyl]-5-oxidanylidene-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C31H44N2O5S
MOLECULAR WEIGHT: 556.75646
SMILES: CCCCCCC(C1=CC=C(C=C1)N2[C@H](CCC2=O)CCCC3=CC=C(S3)C(=O)OCCN4CCOCC4)O
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Product OPENEYE NAME: 2-morpholinoethyl 5-[3-[(2S)-1-[4-[(1S)-1-hydroxyheptyl]phenyl]-5-oxo-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate
CAS Name: 5-[3-[(2S)-1-[4-[(1S)-1-hydroxyheptyl]phenyl]-5-oxo-2-pyrrolidinyl]propyl]-2-thiophenecarboxylic acid 2-(4-morpholinyl)ethyl ester
IUPAC NAME: 2-morpholin-4-ylethyl 5-[3-[(2S)-1-[4-[(1S)-1-hydroxyheptyl]phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 5-[3-[(2S)-1-[4-[(1S)-1-oxidanylheptyl]phenyl]-5-oxidanylidene-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C31H44N2O5S
MOLECULAR WEIGHT: 556.75646
SMILES: CCCCCC[C@@H](C1=CC=C(C=C1)N2[C@H](CCC2=O)CCCC3=CC=C(S3)C(=O)OCCN4CCOCC4)O
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Product OPENEYE NAME: 3-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[3-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C16H8Br2F3N3O4
MOLECULAR WEIGHT: 523.05563
SMILES: C1=CC(=CC(=C1)OC(F)(F)F)NC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Br)Br)NO2
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Product OPENEYE NAME: 3-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C17H10Br2F3N3O3
MOLECULAR WEIGHT: 521.08281
SMILES: C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Br)Br)NO2
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Product OPENEYE NAME: N-benzyl-3-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-(phenylmethyl)-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: N-benzyl-3-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-(phenylmethyl)-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C17H13Br2N3O3
MOLECULAR WEIGHT: 467.11142
SMILES: CN(CC1=CC=CC=C1)C(=O)C2=NC(=C3C=C(C(=O)C(=C3)Br)Br)NO2
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Product OPENEYE NAME: N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazole-5-carboxamide
CAS Name: N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C17H9Br2ClF3N3O3
MOLECULAR WEIGHT: 555.52787
SMILES: C1=CC(=C(C=C1CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Br)Br)NO2)C(F)(F)F)Cl
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Product OPENEYE NAME: N-benzyl-3-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)-N-(phenylmethyl)-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: N-benzyl-3-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-(phenylmethyl)-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C16H11Br2N3O3
MOLECULAR WEIGHT: 453.08484
SMILES: C1=CC=C(C=C1)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Br)Br)NO2
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Product OPENEYE NAME: 3-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C22H12Br2F3N3O4
MOLECULAR WEIGHT: 599.15159
SMILES: C1=CC(=CC=C1C(F)(F)F)OC2=CC=C(C=C2)NC(=O)C3=NC(=C4C=C(C(=O)C(=C4)Br)Br)NO3
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Product OPENEYE NAME: (5E)-5-[(3-hydroxy-4-methoxy-phenyl)methylene]-2-(2-methoxyphenyl)imino-3-methyl-thiazolidin-4-one
CAS Name: (5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)imino-3-methyl-4-thiazolidinone
IUPAC NAME: (5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (5E)-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(2-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C19H18N2O4S
MOLECULAR WEIGHT: 370.42222
SMILES: CN1C(=O)/C(=C\C2=CC(=C(C=C2)OC)O)/SC1=NC3=CC=CC=C3OC
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Product OPENEYE NAME: [2-methoxy-5-[(E)-[2-(2-methoxyphenyl)imino-3-methyl-4-oxo-thiazolidin-5-ylidene]methyl]phenyl] acetate
CAS Name: acetic acid [2-methoxy-5-[(E)-[2-(2-methoxyphenyl)imino-3-methyl-4-oxo-5-thiazolidinylidene]methyl]phenyl] ester
IUPAC NAME: [2-methoxy-5-[(E)-[2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] acetate
SYSTEMATIC NAME: [2-methoxy-5-[(E)-[2-(2-methoxyphenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] ethanoate
MOLECULAR FORMULA: C21H20N2O5S
MOLECULAR WEIGHT: 412.4589
SMILES: CC(=O)OC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=NC3=CC=CC=C3OC)S2)C)OC
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Product OPENEYE NAME: [2-acetoxy-4-[(E)-[2-(4-chlorophenyl)imino-3-isopropyl-4-oxo-thiazolidin-5-ylidene]methyl]phenyl] acetate
CAS Name: acetic acid [2-acetyloxy-4-[(E)-[2-(4-chlorophenyl)imino-4-oxo-3-propan-2-yl-5-thiazolidinylidene]methyl]phenyl] ester
IUPAC NAME: [2-acetyloxy-4-[(E)-[2-(4-chlorophenyl)imino-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]methyl]phenyl] acetate
SYSTEMATIC NAME: [2-acetyloxy-4-[(E)-[2-(4-chlorophenyl)imino-4-oxidanylidene-3-propan-2-yl-1,3-thiazolidin-5-ylidene]methyl]phenyl] ethanoate
MOLECULAR FORMULA: C23H21ClN2O5S
MOLECULAR WEIGHT: 472.94124
SMILES: CC(C)N1C(=O)/C(=C\C2=CC(=C(C=C2)OC(=O)C)OC(=O)C)/SC1=NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: [2-acetoxy-4-[(E)-[2-(4-chlorophenyl)imino-3-(cyclopropylmethyl)-4-oxo-thiazolidin-5-ylidene]methyl]phenyl] acetate
CAS Name: acetic acid [2-acetyloxy-4-[(E)-[2-(4-chlorophenyl)imino-3-(cyclopropylmethyl)-4-oxo-5-thiazolidinylidene]methyl]phenyl] ester
IUPAC NAME: [2-acetyloxy-4-[(E)-[2-(4-chlorophenyl)imino-3-(cyclopropylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] acetate
SYSTEMATIC NAME: [2-acetyloxy-4-[(E)-[2-(4-chlorophenyl)imino-3-(cyclopropylmethyl)-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] ethanoate
MOLECULAR FORMULA: C24H21ClN2O5S
MOLECULAR WEIGHT: 484.95194
SMILES: CC(=O)OC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=NC3=CC=C(C=C3)Cl)S2)CC4CC4)OC(=O)C
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Product OPENEYE NAME: [2-acetoxy-4-[(E)-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-thiazolidin-5-ylidene]methyl]phenyl] acetate
CAS Name: acetic acid [2-acetyloxy-4-[(E)-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-5-thiazolidinylidene]methyl]phenyl] ester
IUPAC NAME: [2-acetyloxy-4-[(E)-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] acetate
SYSTEMATIC NAME: [2-acetyloxy-4-[(E)-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] ethanoate
MOLECULAR FORMULA: C24H23ClN2O6S
MOLECULAR WEIGHT: 502.96722
SMILES: CC(=O)OC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=NC3=CC=C(C=C3)Cl)S2)CCCOC)OC(=O)C
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Product OPENEYE NAME: [2-acetoxy-4-[(E)-[2-(4-chloroanilino)-4-oxo-thiazol-5-ylidene]methyl]phenyl] acetate
CAS Name: acetic acid [2-acetyloxy-4-[(E)-[2-(4-chloroanilino)-4-oxo-5-thiazolylidene]methyl]phenyl] ester
IUPAC NAME: [2-acetyloxy-4-[(E)-[2-(4-chloroanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] acetate
SYSTEMATIC NAME: [2-acetyloxy-4-[(E)-[2-[(4-chlorophenyl)amino]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]phenyl] ethanoate
MOLECULAR FORMULA: C20H15ClN2O5S
MOLECULAR WEIGHT: 430.8615
SMILES: CC(=O)OC1=C(C=C(C=C1)/C=C/2\C(=O)N=C(S2)NC3=CC=C(C=C3)Cl)OC(=O)C
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