Thursday, January 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-[2-(isopropylamino)-2-oxo-ethyl]-N-(6-methoxy-3-pyridyl)cyclopentanecarboxamide
CAS Name: N-(6-methoxy-3-pyridinyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1-cyclopentanecarboxamide
IUPAC NAME: N-(6-methoxypyridin-3-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
SYSTEMATIC NAME: N-(6-methoxypyridin-3-yl)-1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
MOLECULAR FORMULA: C17H25N3O3
MOLECULAR WEIGHT: 319.3987
SMILES: CC(C)NC(=O)CC1(CCCC1)C(=O)NC2=CN=C(C=C2)OC
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Product OPENEYE NAME: N-(5-methylthiazol-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CAS Name: N-(5-methyl-2-thiazolyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
IUPAC NAME: N-(5-methyl-1,3-thiazol-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
SYSTEMATIC NAME: N-(5-methyl-1,3-thiazol-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
MOLECULAR FORMULA: C13H10N6O3S
MOLECULAR WEIGHT: 330.3219
SMILES: CC1=CN=C(S1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]
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Product OPENEYE NAME: (3Z,4E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)butanoic acid
CAS Name: (3Z,4E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)butanoic acid
IUPAC NAME: (3Z,4E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)butanoic acid
SYSTEMATIC NAME: (3Z,4E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)butanoic acid
MOLECULAR FORMULA: C18H14BrNO5
MOLECULAR WEIGHT: 404.21146
SMILES: COC1=C/C(=C\C(=C/2\NC3=CC=CC=C3O2)\CC(=O)O)/C=C(C1=O)Br
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Product OPENEYE NAME: 2,5-difluoro-N-[2-(2-thienyl)ethyl]benzamide
CAS Name: 2,5-difluoro-N-(2-thiophen-2-ylethyl)benzamide
IUPAC NAME: 2,5-difluoro-N-(2-thiophen-2-ylethyl)benzamide
SYSTEMATIC NAME: 2,5-bis(fluoranyl)-N-(2-thiophen-2-ylethyl)benzamide
MOLECULAR FORMULA: C13H11F2NOS
MOLECULAR WEIGHT: 267.294346
SMILES: C1=CSC(=C1)CCNC(=O)C2=C(C=CC(=C2)F)F
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Product OPENEYE NAME: N'-benzoyl-2,5-difluoro-benzohydrazide
CAS Name: N'-benzoyl-2,5-difluorobenzohydrazide
IUPAC NAME: N'-benzoyl-2,5-difluorobenzohydrazide
SYSTEMATIC NAME: 2,5-bis(fluoranyl)-N'-(phenylcarbonyl)benzohydrazide
MOLECULAR FORMULA: C14H10F2N2O2
MOLECULAR WEIGHT: 276.238206
SMILES: C1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C=CC(=C2)F)F
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Product OPENEYE NAME: 4-[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CAS Name: 4-[[2-(1-methyl-2-pyrrolyl)-1-pyrrolidinyl]-oxomethyl]benzonitrile
IUPAC NAME: 4-[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
SYSTEMATIC NAME: 4-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]carbonylbenzenecarbonitrile
MOLECULAR FORMULA: C17H17N3O
MOLECULAR WEIGHT: 279.33638
SMILES: CN1C=CC=C1C2CCCN2C(=O)C3=CC=C(C=C3)C#N
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Product OPENEYE NAME: N-(1-benzyl-2-pyridylidene)-3,5-dimethyl-isoxazole-4-carboxamide
CAS Name: 3,5-dimethyl-N-[1-(phenylmethyl)-2-pyridinylidene]-4-isoxazolecarboxamide
IUPAC NAME: N-(1-benzylpyridin-2-ylidene)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: 3,5-dimethyl-N-[1-(phenylmethyl)pyridin-2-ylidene]-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C18H17N3O2
MOLECULAR WEIGHT: 307.34648
SMILES: CC1=C(C(=NO1)C)C(=O)N=C2C=CC=CN2CC3=CC=CC=C3
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Product OPENEYE NAME: (2-fluorophenyl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
CAS Name: (2-fluorophenyl)-[2-(1-methyl-2-pyrrolyl)-1-pyrrolidinyl]methanone
IUPAC NAME: (2-fluorophenyl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
SYSTEMATIC NAME: (2-fluorophenyl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
MOLECULAR FORMULA: C16H17FN2O
MOLECULAR WEIGHT: 272.317383
SMILES: CN1C=CC=C1C2CCCN2C(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: (E)-1-(2,6-dimethylmorpholin-4-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-en-1-one
CAS Name: (E)-1-(2,6-dimethyl-4-morpholinyl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propen-1-one
IUPAC NAME: (E)-1-(2,6-dimethylmorpholin-4-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(2,6-dimethylmorpholin-4-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-en-1-one
MOLECULAR FORMULA: C18H23NO5
MOLECULAR WEIGHT: 333.37892
SMILES: CC1CN(CC(O1)C)C(=O)/C=C/C2=CC3=C(C(=C2)OC)OCCO3
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Product OPENEYE NAME: (2-ethyl-1-piperidyl)-(3-thienyl)methanone
CAS Name: (2-ethyl-1-piperidinyl)-(3-thiophenyl)methanone
IUPAC NAME: (2-ethylpiperidin-1-yl)-thiophen-3-ylmethanone
SYSTEMATIC NAME: (2-ethylpiperidin-1-yl)-thiophen-3-yl-methanone
MOLECULAR FORMULA: C12H17NOS
MOLECULAR WEIGHT: 223.33448
SMILES: CCC1CCCCN1C(=O)C2=CSC=C2
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Product OPENEYE NAME: N-(tetrahydrofuran-2-ylmethyl)tetrahydropyran-4-carboxamide
CAS Name: N-(2-oxolanylmethyl)-4-oxanecarboxamide
IUPAC NAME: N-(oxolan-2-ylmethyl)oxane-4-carboxamide
SYSTEMATIC NAME: N-(oxolan-2-ylmethyl)oxane-4-carboxamide
MOLECULAR FORMULA: C11H19NO3
MOLECULAR WEIGHT: 213.27346
SMILES: C1CC(OC1)CNC(=O)C2CCOCC2
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Product OPENEYE NAME: 3-oxo-N-(tetrahydrofuran-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide
CAS Name: 3-oxo-N-(2-oxolanylmethyl)-4H-1,4-benzoxazine-7-carboxamide
IUPAC NAME: 3-oxo-N-(oxolan-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide
SYSTEMATIC NAME: 3-oxidanylidene-N-(oxolan-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide
MOLECULAR FORMULA: C14H16N2O4
MOLECULAR WEIGHT: 276.28784
SMILES: C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)NC(=O)CO3
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Product OPENEYE NAME: N-[4-(4-acetylpiperazin-1-yl)-4-oxo-butyl]thiophene-3-carboxamide
CAS Name: N-[4-(4-acetyl-1-piperazinyl)-4-oxobutyl]-3-thiophenecarboxamide
IUPAC NAME: N-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]thiophene-3-carboxamide
SYSTEMATIC NAME: N-[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butyl]thiophene-3-carboxamide
MOLECULAR FORMULA: C15H21N3O3S
MOLECULAR WEIGHT: 323.41054
SMILES: CC(=O)N1CCN(CC1)C(=O)CCCNC(=O)C2=CSC=C2
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Product OPENEYE NAME: N-(2-pyridylmethyl)thiophene-3-carboxamide
CAS Name: N-(2-pyridinylmethyl)-3-thiophenecarboxamide
IUPAC NAME: N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
SYSTEMATIC NAME: N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
MOLECULAR FORMULA: C11H10N2OS
MOLECULAR WEIGHT: 218.2749
SMILES: C1=CC=NC(=C1)CNC(=O)C2=CSC=C2
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Product OPENEYE NAME: N-(3-imidazol-1-ylpropyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CAS Name: N-[3-(1-imidazolyl)propyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
IUPAC NAME: N-(3-imidazol-1-ylpropyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SYSTEMATIC NAME: N-(3-imidazol-1-ylpropyl)-3-oxidanylidene-4H-1,4-benzoxazine-7-carboxamide
MOLECULAR FORMULA: C15H16N4O3
MOLECULAR WEIGHT: 300.31254
SMILES: C1C(=O)NC2=C(O1)C=C(C=C2)C(=O)NCCCN3C=CN=C3
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Product OPENEYE NAME: (E)-3-(1,3-benzoxazol-2-yl)-N,N-dimethyl-prop-2-enamide
CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-N,N-dimethyl-2-propenamide
IUPAC NAME: (E)-3-(1,3-benzoxazol-2-yl)-N,N-dimethylprop-2-enamide
SYSTEMATIC NAME: (E)-3-(1,3-benzoxazol-2-yl)-N,N-dimethyl-prop-2-enamide
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: CN(C)C(=O)/C=C/C1=NC2=CC=CC=C2O1
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Product OPENEYE NAME: 2,4-difluoro-N-[4-(methylamino)-4-oxo-butyl]benzamide
CAS Name: 2,4-difluoro-N-[4-(methylamino)-4-oxobutyl]benzamide
IUPAC NAME: 2,4-difluoro-N-[4-(methylamino)-4-oxobutyl]benzamide
SYSTEMATIC NAME: 2,4-bis(fluoranyl)-N-[4-(methylamino)-4-oxidanylidene-butyl]benzamide
MOLECULAR FORMULA: C12H14F2N2O2
MOLECULAR WEIGHT: 256.248566
SMILES: CNC(=O)CCCNC(=O)C1=C(C=C(C=C1)F)F
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Product OPENEYE NAME: 1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CAS Name: 1-[oxo(3-thiophenyl)methyl]-4-piperidinecarboxamide
IUPAC NAME: 1-(thiophene-3-carbonyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-thiophen-3-ylcarbonylpiperidine-4-carboxamide
MOLECULAR FORMULA: C11H14N2O2S
MOLECULAR WEIGHT: 238.30606
SMILES: C1CN(CCC1C(=O)N)C(=O)C2=CSC=C2
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Product OPENEYE NAME: ethyl 1-(4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylate
CAS Name: 1-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-(4-pyrazol-1-ylphenyl)carbonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C18H21N3O3
MOLECULAR WEIGHT: 327.37764
SMILES: CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)N3C=CC=N3
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Product OPENEYE NAME: ethyl 1-[3-(3-thienyl)propanoyl]piperidine-3-carboxylate
CAS Name: 1-[1-oxo-3-(3-thiophenyl)propyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylate
MOLECULAR FORMULA: C15H21NO3S
MOLECULAR WEIGHT: 295.39714
SMILES: CCOC(=O)C1CCCN(C1)C(=O)CCC2=CSC=C2
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Product OPENEYE NAME: N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CAS Name: N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
IUPAC NAME: N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SYSTEMATIC NAME: N-(2,3-dimethylcyclohexyl)-3-oxidanylidene-4H-1,4-benzoxazine-7-carboxamide
MOLECULAR FORMULA: C17H22N2O3
MOLECULAR WEIGHT: 302.36818
SMILES: CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)NC(=O)CO3
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Product OPENEYE NAME: 3-(dimethylamino)-N'-(3-methylbut-2-enoyl)benzohydrazide
CAS Name: 3-(dimethylamino)-N'-(3-methyl-1-oxobut-2-enyl)benzohydrazide
IUPAC NAME: 3-(dimethylamino)-N'-(3-methylbut-2-enoyl)benzohydrazide
SYSTEMATIC NAME: 3-(dimethylamino)-N'-(3-methylbut-2-enoyl)benzohydrazide
MOLECULAR FORMULA: C14H19N3O2
MOLECULAR WEIGHT: 261.31956
SMILES: CC(=CC(=O)NNC(=O)C1=CC(=CC=C1)N(C)C)C
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Product OPENEYE NAME: methyl 1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate
CAS Name: 1-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-(4-pyrazol-1-ylphenyl)carbonylpiperidine-4-carboxylate
MOLECULAR FORMULA: C17H19N3O3
MOLECULAR WEIGHT: 313.35106
SMILES: COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=N3
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Product OPENEYE NAME: N-(2-methyl-2-morpholino-propyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CAS Name: N-[2-methyl-2-(4-morpholinyl)propyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
IUPAC NAME: N-(2-methyl-2-morpholin-4-ylpropyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SYSTEMATIC NAME: N-(2-methyl-2-morpholin-4-yl-propyl)-3-oxidanylidene-4H-1,4-benzoxazine-7-carboxamide
MOLECULAR FORMULA: C17H23N3O4
MOLECULAR WEIGHT: 333.38222
SMILES: CC(C)(CNC(=O)C1=CC2=C(C=C1)NC(=O)CO2)N3CCOCC3
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