Tuesday, July 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2E)-2-[7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]-2-nitroso-acetic acid
CAS Name: (2E)-2-[7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]-2-nitrosoacetic acid
IUPAC NAME: (2E)-2-[7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]-2-nitrosoacetic acid
SYSTEMATIC NAME: (2E)-2-[7-chloranyl-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]-2-nitroso-ethanoic acid
MOLECULAR FORMULA: C17H11Cl2N3O3
MOLECULAR WEIGHT: 376.19354
SMILES: C1/C(=C(/C(=O)O)\N=O)/NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl
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Product OPENEYE NAME: 6-(2-chlorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine; fumaric acid
CAS Name: (E)-2-butenedioic acid; 6-(2-chlorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine
IUPAC NAME: (E)-but-2-enedioic acid; 6-(2-chlorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 6-(2-chlorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine
MOLECULAR FORMULA: C22H17ClN4O6
MOLECULAR WEIGHT: 468.84658
SMILES: CC1=NC=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=CC=C4Cl.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: (2Z)-7-chloro-5-(2-fluorophenyl)-4-hydroxy-2-(nitromethylene)-3H-1,4-benzodiazepine
CAS Name: (2Z)-7-chloro-5-(2-fluorophenyl)-4-hydroxy-2-(nitromethylidene)-3H-1,4-benzodiazepine
IUPAC NAME: (2Z)-7-chloro-5-(2-fluorophenyl)-4-hydroxy-2-(nitromethylidene)-3H-1,4-benzodiazepine
SYSTEMATIC NAME: (2Z)-7-chloranyl-5-(2-fluorophenyl)-2-(nitromethylidene)-4-oxidanyl-3H-1,4-benzodiazepine
MOLECULAR FORMULA: C16H11ClFN3O3
MOLECULAR WEIGHT: 347.728243
SMILES: C1/C(=C/[N+](=O)[O-])/N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3F)Cl
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Product OPENEYE NAME: (2Z)-5-(2-fluorophenyl)-4-hydroxy-7-nitro-2-(nitromethylene)-3H-1,4-benzodiazepine
CAS Name: (2Z)-5-(2-fluorophenyl)-4-hydroxy-7-nitro-2-(nitromethylidene)-3H-1,4-benzodiazepine
IUPAC NAME: (2Z)-5-(2-fluorophenyl)-4-hydroxy-7-nitro-2-(nitromethylidene)-3H-1,4-benzodiazepine
SYSTEMATIC NAME: (2Z)-5-(2-fluorophenyl)-7-nitro-2-(nitromethylidene)-4-oxidanyl-3H-1,4-benzodiazepine
MOLECULAR FORMULA: C16H11FN4O5
MOLECULAR WEIGHT: 358.280743
SMILES: C1/C(=C/[N+](=O)[O-])/N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3F)[N+](=O)[O-]
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Product OPENEYE NAME: 4H-1,4-benzodiazepine-3-carboxylic acid
CAS Name: 4H-1,4-benzodiazepine-3-carboxylic acid
IUPAC NAME: 4H-1,4-benzodiazepine-3-carboxylic acid
SYSTEMATIC NAME: 4H-1,4-benzodiazepine-3-carboxylic acid
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C1=CC2=CNC(=CN=C2C=C1)C(=O)O
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Product OPENEYE NAME: 1-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]ethanamine
CAS Name: 1-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]ethanamine
IUPAC NAME: 1-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]ethanamine
SYSTEMATIC NAME: 1-[7-chloranyl-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]ethanamine
MOLECULAR FORMULA: C17H17ClFN3
MOLECULAR WEIGHT: 317.788383
SMILES: CC(C1CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3F)N
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Product OPENEYE NAME: 8-chloro-3-(chloromethyl)-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
CAS Name: 8-chloro-3-(chloromethyl)-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
IUPAC NAME: 8-chloro-3-(chloromethyl)-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
SYSTEMATIC NAME: 8-chloranyl-3-(chloromethyl)-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
MOLECULAR FORMULA: C19H15Cl2N3
MOLECULAR WEIGHT: 356.2485
SMILES: CC1=NC(=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4)CCl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21N5O2
MOLECULAR WEIGHT: 351.40234
SMILES: CCC1=C2C(=NCC3=C(N2C(N1)C)N(N=C3C(=O)O)C)C4=CC=CC=C4
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Product OPENEYE NAME: 6-chloro-2-(1,1-dichloroethyl)-2-(2-fluorophenyl)-1H-quinazoline
CAS Name: 6-chloro-2-(1,1-dichloroethyl)-2-(2-fluorophenyl)-1H-quinazoline
IUPAC NAME: 6-chloro-2-(1,1-dichloroethyl)-2-(2-fluorophenyl)-1H-quinazoline
SYSTEMATIC NAME: 2-[1,1-bis(chloranyl)ethyl]-6-chloranyl-2-(2-fluorophenyl)-1H-quinazoline
MOLECULAR FORMULA: C16H12Cl3FN2
MOLECULAR WEIGHT: 357.637283
SMILES: CC(C1(NC2=C(C=C(C=C2)Cl)C=N1)C3=CC=CC=C3F)(Cl)Cl
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Product OPENEYE NAME: methyl (2E)-2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)acetate
CAS Name: (2E)-2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)acetic acid methyl ester
IUPAC NAME: methyl (2E)-2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)acetate
SYSTEMATIC NAME: methyl (2E)-2-(7-chloranyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)ethanoate
MOLECULAR FORMULA: C18H15ClN2O2
MOLECULAR WEIGHT: 326.7769
SMILES: COC(=O)/C=C/1\CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: fumaric acid; 1-methyl-8-(2-methyl-1,3-dioxolan-2-yl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
CAS Name: (E)-2-butenedioic acid; 1-methyl-8-(2-methyl-1,3-dioxolan-2-yl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
IUPAC NAME: (E)-but-2-enedioic acid; 1-methyl-8-(2-methyl-1,3-dioxolan-2-yl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-methyl-8-(2-methyl-1,3-dioxolan-2-yl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
MOLECULAR FORMULA: C26H25N3O6
MOLECULAR WEIGHT: 475.4932
SMILES: CC1=NC=C2N1C3=C(C=C(C=C3)C4(OCCO4)C)C(=NC2)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: methyl (2E)-2-[7-chloro-5-(2-chlorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-ylidene]acetate
CAS Name: (2E)-2-[7-chloro-5-(2-chlorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-ylidene]acetic acid methyl ester
IUPAC NAME: methyl (2E)-2-[7-chloro-5-(2-chlorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-ylidene]acetate
SYSTEMATIC NAME: methyl (2E)-2-[7-chloranyl-5-(2-chlorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-ylidene]ethanoate
MOLECULAR FORMULA: C16H12Cl2N2O2S
MOLECULAR WEIGHT: 367.24968
SMILES: COC(=O)/C=C/1\CN=C(C2=C(N1)SC(=C2)Cl)C3=CC=CC=C3Cl
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