Tuesday, July 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (E)-2-(1,4-benzodiazepin-1-yl)but-2-enedioic acid
CAS Name: (E)-2-(1,4-benzodiazepin-1-yl)-2-butenedioic acid
IUPAC NAME: (E)-2-(1,4-benzodiazepin-1-yl)but-2-enedioic acid
SYSTEMATIC NAME: (E)-2-(1,4-benzodiazepin-1-yl)but-2-enedioic acid
MOLECULAR FORMULA: C13H10N2O4
MOLECULAR WEIGHT: 258.2295
SMILES: C1=CC=C2C(=C1)C=NC=CN2/C(=C/C(=O)O)/C(=O)O
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Product OPENEYE NAME: 8-chloro-6-(2-chlorophenyl)-1-methyl-2,6-dihydro-1H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide hydrochloride
CAS Name: 8-chloro-6-(2-chlorophenyl)-1-methyl-2,6-dihydro-1H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide hydrochloride
IUPAC NAME: 8-chloro-6-(2-chlorophenyl)-1-methyl-2,6-dihydro-1H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide hydrochloride
SYSTEMATIC NAME: 8-chloranyl-6-(2-chlorophenyl)-1-methyl-2,6-dihydro-1H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide hydrochloride
MOLECULAR FORMULA: C19H17Cl3N4O
MOLECULAR WEIGHT: 423.72348
SMILES: CC1NC(=C2N1C3=C(C=C(C=C3)Cl)C(N=C2)C4=CC=CC=C4Cl)C(=O)N.Cl
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Product OPENEYE NAME: 8-chloro-6-(2-chlorophenyl)-1-methyl-2,6-dihydro-1H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CAS Name: 8-chloro-6-(2-chlorophenyl)-1-methyl-2,6-dihydro-1H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
IUPAC NAME: 8-chloro-6-(2-chlorophenyl)-1-methyl-2,6-dihydro-1H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SYSTEMATIC NAME: 8-chloranyl-6-(2-chlorophenyl)-1-methyl-2,6-dihydro-1H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
MOLECULAR FORMULA: C19H16Cl2N4O
MOLECULAR WEIGHT: 387.26254
SMILES: CC1NC(=C2N1C3=C(C=C(C=C3)Cl)C(N=C2)C4=CC=CC=C4Cl)C(=O)N
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Product OPENEYE NAME: 1-(azidomethyl)-8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
CAS Name: 1-(azidomethyl)-8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
IUPAC NAME: 1-(azidomethyl)-8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
SYSTEMATIC NAME: 1-(azidomethyl)-8-chloranyl-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
MOLECULAR FORMULA: C19H12Cl2N6O2
MOLECULAR WEIGHT: 427.24358
SMILES: C1C2=C(N=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CN=[N+]=[N-])C(=O)O
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Product OPENEYE NAME: (2E)-2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)-2-nitroso-acetic acid
CAS Name: (2E)-2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)-2-nitrosoacetic acid
IUPAC NAME: (2E)-2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)-2-nitrosoacetic acid
SYSTEMATIC NAME: (2E)-2-(7-chloranyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)-2-nitroso-ethanoic acid
MOLECULAR FORMULA: C17H12ClN3O3
MOLECULAR WEIGHT: 341.74848
SMILES: C1/C(=C(/C(=O)O)\N=O)/NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
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Product OPENEYE NAME: 7-ethyl-5-(2-fluorophenyl)-N-(nitrosomethyl)-3H-1,4-benzodiazepin-2-amine
CAS Name: 7-ethyl-5-(2-fluorophenyl)-N-(nitrosomethyl)-3H-1,4-benzodiazepin-2-amine
IUPAC NAME: 7-ethyl-5-(2-fluorophenyl)-N-(nitrosomethyl)-3H-1,4-benzodiazepin-2-amine
SYSTEMATIC NAME: 7-ethyl-5-(2-fluorophenyl)-N-(nitrosomethyl)-3H-1,4-benzodiazepin-2-amine
MOLECULAR FORMULA: C18H17FN4O
MOLECULAR WEIGHT: 324.352183
SMILES: CCC1=CC2=C(C=C1)N=C(CN=C2C3=CC=CC=C3F)NCN=O
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Product OPENEYE NAME: methyl 8-(chloromethyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CAS Name: 8-(chloromethyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid methyl ester
IUPAC NAME: methyl 8-(chloromethyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
SYSTEMATIC NAME: methyl 8-(chloromethyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
MOLECULAR FORMULA: C20H15Cl2N3O2
MOLECULAR WEIGHT: 400.258
SMILES: COC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)CCl)C4=CC=CC=C4Cl
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Product OPENEYE NAME: (2Z)-2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)-2-nitroso-acetic acid
CAS Name: (2Z)-2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)-2-nitrosoacetic acid
IUPAC NAME: (2Z)-2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)-2-nitrosoacetic acid
SYSTEMATIC NAME: (2Z)-2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)-2-nitroso-ethanoic acid
MOLECULAR FORMULA: C17H17N5O3
MOLECULAR WEIGHT: 339.34858
SMILES: CCC1=C2C(=NC/C(=C(\C(=O)O)/N=O)/N=C2N(N1)C)C3=CC=CC=C3
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Product OPENEYE NAME: 8-chloro-1-methyl-6-phenyl-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
CAS Name: 8-chloro-1-methyl-6-phenyl-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
IUPAC NAME: 8-chloro-1-methyl-6-phenyl-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
SYSTEMATIC NAME: 8-chloranyl-1-methyl-6-phenyl-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
MOLECULAR FORMULA: C19H16ClN3O2
MOLECULAR WEIGHT: 353.80224
SMILES: CC1=NC(=C2N1C3=C(C=C(C=C3)Cl)C(NC2)C4=CC=CC=C4)C(=O)O
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Product OPENEYE NAME: (2E)-2-[7-chloro-5-(2-chlorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-ylidene]-2-nitroso-acetic acid
CAS Name: (2E)-2-[7-chloro-5-(2-chlorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-ylidene]-2-nitrosoacetic acid
IUPAC NAME: (2E)-2-[7-chloro-5-(2-chlorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-ylidene]-2-nitrosoacetic acid
SYSTEMATIC NAME: (2E)-2-[7-chloranyl-5-(2-chlorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-ylidene]-2-nitroso-ethanoic acid
MOLECULAR FORMULA: C15H9Cl2N3O3S
MOLECULAR WEIGHT: 382.22126
SMILES: C1/C(=C(/C(=O)O)\N=O)/NC2=C(C=C(S2)Cl)C(=N1)C3=CC=CC=C3Cl
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Product OPENEYE NAME: ethyl (2E)-2-acetamido-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetate; fumaric acid
CAS Name: (2E)-2-acetamido-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetic acid ethyl ester; (E)-2-butenedioic acid
IUPAC NAME: (E)-but-2-enedioic acid; ethyl (2E)-2-acetamido-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; ethyl (2E)-2-acetamido-2-[7-chloranyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]ethanoate
MOLECULAR FORMULA: C25H23ClFN3O7
MOLECULAR WEIGHT: 531.917423
SMILES: CCOC(=O)/C(=C\1/CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3F)/NC(=O)C.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: methyl (2E)-2-benzamido-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetate
CAS Name: (2E)-2-benzamido-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetic acid methyl ester
IUPAC NAME: methyl (2E)-2-benzamido-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetate
SYSTEMATIC NAME: methyl (2E)-2-benzamido-2-[7-chloranyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]ethanoate
MOLECULAR FORMULA: C25H19ClFN3O3
MOLECULAR WEIGHT: 463.888063
SMILES: COC(=O)/C(=C\1/CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3F)/NC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[[7-(2-methyl-1,3-dioxolan-2-yl)-5-phenyl-3H-1,4-benzodiazepin-2-yl]oxy-morpholino-phosphoryl]morpholine
CAS Name: 4-[[7-(2-methyl-1,3-dioxolan-2-yl)-5-phenyl-3H-1,4-benzodiazepin-2-yl]oxy-(4-morpholinyl)phosphoryl]morpholine
IUPAC NAME: 4-[[7-(2-methyl-1,3-dioxolan-2-yl)-5-phenyl-3H-1,4-benzodiazepin-2-yl]oxy-morpholin-4-ylphosphoryl]morpholine
SYSTEMATIC NAME: 4-[[7-(2-methyl-1,3-dioxolan-2-yl)-5-phenyl-3H-1,4-benzodiazepin-2-yl]oxy-morpholin-4-yl-phosphoryl]morpholine
MOLECULAR FORMULA: C27H33N4O6P
MOLECULAR WEIGHT: 540.547881
SMILES: CC1(OCCO1)C2=CC3=C(C=C2)N=C(CN=C3C4=CC=CC=C4)OP(=O)(N5CCOCC5)N6CCOCC6
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Product OPENEYE NAME: N-(nitrosomethyl)-5-phenyl-3H-1,4-benzodiazepin-2-amine
CAS Name: N-(nitrosomethyl)-5-phenyl-3H-1,4-benzodiazepin-2-amine
IUPAC NAME: N-(nitrosomethyl)-5-phenyl-3H-1,4-benzodiazepin-2-amine
SYSTEMATIC NAME: N-(nitrosomethyl)-5-phenyl-3H-1,4-benzodiazepin-2-amine
MOLECULAR FORMULA: C16H14N4O
MOLECULAR WEIGHT: 278.30856
SMILES: C1C(=NC2=CC=CC=C2C(=N1)C3=CC=CC=C3)NCN=O
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