Saturday, September 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-methyl-5,6-dihydropyrrolo[2,3-c]azepin-4-one
CAS Name: 1-methyl-5,6-dihydropyrrolo[2,3-c]azepin-4-one
IUPAC NAME: 1-methyl-5,6-dihydropyrrolo[2,3-c]azepin-4-one
SYSTEMATIC NAME: 1-methyl-5,6-dihydropyrrolo[2,3-c]azepin-4-one
MOLECULAR FORMULA: C9H10N2O
MOLECULAR WEIGHT: 162.1885
SMILES: CN1C=CC2=C1C=NCCC2=O
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Product OPENEYE NAME: (4E)-5-[4-(4-fluorophenoxy)-1-piperidyl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
CAS Name: (4E)-5-[4-(4-fluorophenoxy)-1-piperidinyl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
IUPAC NAME: (4E)-5-[4-(4-fluorophenoxy)piperidin-1-yl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
SYSTEMATIC NAME: (4E)-5-[4-(4-fluoranylphenoxy)piperidin-1-yl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
MOLECULAR FORMULA: C23H29FN4O3
MOLECULAR WEIGHT: 428.499763
SMILES: CCCN1CC(/C(=N/O)/C2=C(C1=O)N(C=C2)C)N3CCC(CC3)OC4=CC=C(C=C4)F
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Product OPENEYE NAME: (4E)-5-[4-(4-fluorophenyl)sulfanyl-1-piperidyl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
CAS Name: (4E)-5-[4-[(4-fluorophenyl)thio]-1-piperidinyl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
IUPAC NAME: (4E)-5-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
SYSTEMATIC NAME: (4E)-5-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
MOLECULAR FORMULA: C23H29FN4O2S
MOLECULAR WEIGHT: 444.565363
SMILES: CCCN1CC(/C(=N/O)/C2=C(C1=O)N(C=C2)C)N3CCC(CC3)SC4=CC=C(C=C4)F
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Product OPENEYE NAME: 5-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
CAS Name: 5-[4-(3-methoxyphenyl)-1-piperazinyl]-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
IUPAC NAME: 5-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
SYSTEMATIC NAME: 5-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
MOLECULAR FORMULA: C23H30N4O3
MOLECULAR WEIGHT: 410.5093
SMILES: CCCN1CC(C(=O)C2=C(C1=O)N(C=C2)C)N3CCN(CC3)C4=CC(=CC=C4)OC
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Product OPENEYE NAME: 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
CAS Name: 5-[4-(2-methoxyphenyl)-1-piperazinyl]-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
IUPAC NAME: 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
SYSTEMATIC NAME: 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
MOLECULAR FORMULA: C23H30N4O3
MOLECULAR WEIGHT: 410.5093
SMILES: CCCN1CC(C(=O)C2=C(C1=O)N(C=C2)C)N3CCN(CC3)C4=CC=CC=C4OC
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Product OPENEYE NAME: 2-(4-benzyl-3-formamido-1-methyl-pyrrol-2-yl)propanoic acid
CAS Name: 2-[3-formamido-1-methyl-4-(phenylmethyl)-2-pyrrolyl]propanoic acid
IUPAC NAME: 2-(4-benzyl-3-formamido-1-methylpyrrol-2-yl)propanoic acid
SYSTEMATIC NAME: 2-[3-formamido-1-methyl-4-(phenylmethyl)pyrrol-2-yl]propanoic acid
MOLECULAR FORMULA: C16H18N2O3
MOLECULAR WEIGHT: 286.32572
SMILES: CC(C1=C(C(=CN1C)CC2=CC=CC=C2)NC=O)C(=O)O
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Product OPENEYE NAME: (4E)-5-[4-(4-fluorobenzoyl)-1-piperidyl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
CAS Name: (4E)-5-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
IUPAC NAME: (4E)-5-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
SYSTEMATIC NAME: (4E)-5-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
MOLECULAR FORMULA: C24H29FN4O3
MOLECULAR WEIGHT: 440.510463
SMILES: CCCN1CC(/C(=N/O)/C2=C(C1=O)N(C=C2)C)N3CCC(CC3)C(=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 5-[4-(4-fluorophenoxy)-1-piperidyl]-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
CAS Name: 5-[4-(4-fluorophenoxy)-1-piperidinyl]-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
IUPAC NAME: 5-[4-(4-fluorophenoxy)piperidin-1-yl]-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
SYSTEMATIC NAME: 5-[4-(4-fluoranylphenoxy)piperidin-1-yl]-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
MOLECULAR FORMULA: C23H28FN3O3
MOLECULAR WEIGHT: 413.485123
SMILES: CCCN1CC(C(=O)C2=C(C1=O)N(C=C2)C)N3CCC(CC3)OC4=CC=C(C=C4)F
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Product OPENEYE NAME: (4E)-5-[4-(4-fluorophenyl)piperazin-1-yl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
CAS Name: (4E)-5-[4-(4-fluorophenyl)-1-piperazinyl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
IUPAC NAME: (4E)-5-[4-(4-fluorophenyl)piperazin-1-yl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
SYSTEMATIC NAME: (4E)-5-[4-(4-fluorophenyl)piperazin-1-yl]-4-hydroxyimino-1-methyl-7-propyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
MOLECULAR FORMULA: C22H28FN5O2
MOLECULAR WEIGHT: 413.488423
SMILES: CCCN1CC(/C(=N/O)/C2=C(C1=O)N(C=C2)C)N3CCN(CC3)C4=CC=C(C=C4)F
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Product OPENEYE NAME: disodium nitro phosphate
CAS Name: disodium nitro phosphate
IUPAC NAME: disodium nitro phosphate
SYSTEMATIC NAME: disodium nitro phosphate
MOLECULAR FORMULA: NNa2O6P
MOLECULAR WEIGHT: 186.956401
SMILES: [N+](=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+]
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Product OPENEYE NAME: cobaltous; manganous; gold(1+); platinum(2+)
CAS Name: cobalt(2+); gold(1+); manganese(2+); platinum(2+)
IUPAC NAME: cobalt(2+); gold(1+); manganese(2+); platinum(2+)
SYSTEMATIC NAME: cobalt(2+); gold(1+); manganese(2+); platinum(2+)
MOLECULAR FORMULA: AuCoMnPt+7
MOLECULAR WEIGHT: 505.915799
SMILES: [Mn+2].[Co+2].[Pt+2].[Au+]
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Product OPENEYE NAME: 1-[2-(3-chlorophenyl)-1,1-dimethyl-2-oxo-ethyl]-3-methyl-4-phenyl-2H-pyrrol-5-one
CAS Name: 1-[1-(3-chlorophenyl)-2-methyl-1-oxopropan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one
IUPAC NAME: 1-[1-(3-chlorophenyl)-2-methyl-1-oxopropan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one
SYSTEMATIC NAME: 1-[1-(3-chlorophenyl)-2-methyl-1-oxidanylidene-propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one
MOLECULAR FORMULA: C21H20ClNO2
MOLECULAR WEIGHT: 353.842
SMILES: CC1=C(C(=O)N(C1)C(C)(C)C(=O)C2=CC(=CC=C2)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: 4-[2-(3,5-dichlorophenyl)-1,1-dimethyl-2-oxo-ethyl]-1-(p-tolyl)-2H-pyrrol-5-one
CAS Name: 4-[1-(3,5-dichlorophenyl)-2-methyl-1-oxopropan-2-yl]-1-(4-methylphenyl)-2H-pyrrol-5-one
IUPAC NAME: 4-[1-(3,5-dichlorophenyl)-2-methyl-1-oxopropan-2-yl]-1-(4-methylphenyl)-2H-pyrrol-5-one
SYSTEMATIC NAME: 4-[1-[3,5-bis(chloranyl)phenyl]-2-methyl-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)-2H-pyrrol-5-one
MOLECULAR FORMULA: C21H19Cl2NO2
MOLECULAR WEIGHT: 388.28706
SMILES: CC1=CC=C(C=C1)N2CC=C(C2=O)C(C)(C)C(=O)C3=CC(=CC(=C3)Cl)Cl
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Product OPENEYE NAME: 2,3,4-tribromo-1-prop-2-ynyl-pyrrole
CAS Name: 2,3,4-tribromo-1-prop-2-ynylpyrrole
IUPAC NAME: 2,3,4-tribromo-1-prop-2-ynylpyrrole
SYSTEMATIC NAME: 2,3,4-tris(bromanyl)-1-prop-2-ynyl-pyrrole
MOLECULAR FORMULA: C7H4Br3N
MOLECULAR WEIGHT: 341.82536
SMILES: C#CCN1C=C(C(=C1Br)Br)Br
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Product OPENEYE NAME: 2,4,5-tribromo-1-[2-(4-chlorophenyl)-2-oxo-ethyl]pyrrole-3-carbonitrile
CAS Name: 2,4,5-tribromo-1-[2-(4-chlorophenyl)-2-oxoethyl]-3-pyrrolecarbonitrile
IUPAC NAME: 2,4,5-tribromo-1-[2-(4-chlorophenyl)-2-oxoethyl]pyrrole-3-carbonitrile
SYSTEMATIC NAME: 2,4,5-tris(bromanyl)-1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]pyrrole-3-carbonitrile
MOLECULAR FORMULA: C13H6Br3ClN2O
MOLECULAR WEIGHT: 481.36454
SMILES: C1=CC(=CC=C1C(=O)CN2C(=C(C(=C2Br)Br)C#N)Br)Cl
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Product OPENEYE NAME: butyl prop-2-enoate; toluene
CAS Name: 2-propenoic acid butyl ester; toluene
IUPAC NAME: butyl prop-2-enoate; toluene
SYSTEMATIC NAME: butyl prop-2-enoate; methylbenzene
MOLECULAR FORMULA: C14H20O2
MOLECULAR WEIGHT: 220.3074
SMILES: CCCCOC(=O)C=C.CC1=CC=CC=C1
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