Wednesday, May 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (E)-N-(2-furylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CAS Name: (E)-N-(2-furanylmethyl)-3-[4-(trifluoromethylthio)phenyl]-2-propenamide
IUPAC NAME: (E)-N-(furan-2-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-(furan-2-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C15H12F3NO2S
MOLECULAR WEIGHT: 327.32149
SMILES: C1=COC(=C1)CNC(=O)/C=C/C2=CC=C(C=C2)SC(F)(F)F
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Product OPENEYE NAME: 2-[4-(3,4-dimethylphenyl)-5-methyl-thiazol-2-yl]-N-(2-furylmethyl)acetamide
CAS Name: 2-[4-(3,4-dimethylphenyl)-5-methyl-2-thiazolyl]-N-(2-furanylmethyl)acetamide
IUPAC NAME: 2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C19H20N2O2S
MOLECULAR WEIGHT: 340.4393
SMILES: CC1=C(C=C(C=C1)C2=C(SC(=N2)CC(=O)NCC3=CC=CO3)C)C
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Product OPENEYE NAME: 2-[4-(1-ethylsulfonylindolin-5-yl)thiazol-2-yl]-N-(2-furylmethyl)acetamide
CAS Name: 2-[4-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-thiazolyl]-N-(2-furanylmethyl)acetamide
IUPAC NAME: 2-[4-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[4-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C20H21N3O4S2
MOLECULAR WEIGHT: 431.52844
SMILES: CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)CC(=O)NCC4=CC=CO4
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Product OPENEYE NAME: 3-indolin-1-yl-N-(2-methoxy-5-nitro-phenyl)propanamide
CAS Name: 3-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
IUPAC NAME: 3-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
SYSTEMATIC NAME: 3-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide
MOLECULAR FORMULA: C18H19N3O4
MOLECULAR WEIGHT: 341.36116
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCC3=CC=CC=C32
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Product OPENEYE NAME: 3-indolin-1-yl-N-(2-methoxy-4-nitro-phenyl)propanamide
CAS Name: 3-(2,3-dihydroindol-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
IUPAC NAME: 3-(2,3-dihydroindol-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
SYSTEMATIC NAME: 3-(2,3-dihydroindol-1-yl)-N-(2-methoxy-4-nitro-phenyl)propanamide
MOLECULAR FORMULA: C18H19N3O4
MOLECULAR WEIGHT: 341.36116
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CCC3=CC=CC=C32
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Product OPENEYE NAME: 3-indolin-1-yl-N-(2-methyl-3-nitro-phenyl)propanamide
CAS Name: 3-(2,3-dihydroindol-1-yl)-N-(2-methyl-3-nitrophenyl)propanamide
IUPAC NAME: 3-(2,3-dihydroindol-1-yl)-N-(2-methyl-3-nitrophenyl)propanamide
SYSTEMATIC NAME: 3-(2,3-dihydroindol-1-yl)-N-(2-methyl-3-nitro-phenyl)propanamide
MOLECULAR FORMULA: C18H19N3O3
MOLECULAR WEIGHT: 325.36176
SMILES: CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCC3=CC=CC=C32
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Product OPENEYE NAME: N-[4-methyl-5-[(2R)-2-methylindoline-1-carbonyl]-2-thienyl]cyclopropanecarboxamide
CAS Name: N-[4-methyl-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]-oxomethyl]-2-thiophenyl]cyclopropanecarboxamide
IUPAC NAME: N-[4-methyl-5-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SYSTEMATIC NAME: N-[4-methyl-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]carbonyl]thiophen-2-yl]cyclopropanecarboxamide
MOLECULAR FORMULA: C19H20N2O2S
MOLECULAR WEIGHT: 340.4393
SMILES: C[C@@H]1CC2=CC=CC=C2N1C(=O)C3=C(C=C(S3)NC(=O)C4CC4)C
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Product OPENEYE NAME: N-[4-methyl-5-[(2S)-2-methylindoline-1-carbonyl]-2-thienyl]cyclopropanecarboxamide
CAS Name: N-[4-methyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]-oxomethyl]-2-thiophenyl]cyclopropanecarboxamide
IUPAC NAME: N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SYSTEMATIC NAME: N-[4-methyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]carbonyl]thiophen-2-yl]cyclopropanecarboxamide
MOLECULAR FORMULA: C19H20N2O2S
MOLECULAR WEIGHT: 340.4393
SMILES: C[C@H]1CC2=CC=CC=C2N1C(=O)C3=C(C=C(S3)NC(=O)C4CC4)C
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Product OPENEYE NAME: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-imidazo[1,2-a]pyridin-2-yl-ethanone
CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-imidazo[1,2-a]pyridinyl)ethanone
IUPAC NAME: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
SYSTEMATIC NAME: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-imidazo[1,2-a]pyridin-2-yl-ethanone
MOLECULAR FORMULA: C18H17N3O
MOLECULAR WEIGHT: 291.34708
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)CC3=CN4C=CC=CC4=N3
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Product OPENEYE NAME: N-(2-methyl-3-nitro-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanamide
CAS Name: N-(2-methyl-3-nitrophenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propanamide
IUPAC NAME: N-(2-methyl-3-nitrophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanamide
SYSTEMATIC NAME: N-(2-methyl-3-nitro-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanamide
MOLECULAR FORMULA: C19H24N5O3+
MOLECULAR WEIGHT: 370.42556
SMILES: CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=CC=CC=[NH+]3
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Product OPENEYE NAME: N-(2-methyl-3-nitro-phenyl)-3-[4-(2-pyridyl)piperazin-1-yl]propanamide
CAS Name: N-(2-methyl-3-nitrophenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]propanamide
IUPAC NAME: N-(2-methyl-3-nitrophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SYSTEMATIC NAME: N-(2-methyl-3-nitro-phenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
MOLECULAR FORMULA: C19H23N5O3
MOLECULAR WEIGHT: 369.41762
SMILES: CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=CC=CC=N3
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Product OPENEYE NAME: 2-hydroxyethyl (4E)-4-(2-furylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate
CAS Name: (4E)-4-(2-furanylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
SYSTEMATIC NAME: 2-hydroxyethyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
MOLECULAR FORMULA: C21H19NO4
MOLECULAR WEIGHT: 349.37986
SMILES: C1C/C(=C\C2=CC=CO2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCCO
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Product OPENEYE NAME: N'-(2-nitrophenyl)-3-[[(2S)-tetrahydrofuran-2-yl]methoxy]benzohydrazide
CAS Name: N'-(2-nitrophenyl)-3-[[(2S)-2-oxolanyl]methoxy]benzohydrazide
IUPAC NAME: N'-(2-nitrophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide
SYSTEMATIC NAME: N'-(2-nitrophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide
MOLECULAR FORMULA: C18H19N3O5
MOLECULAR WEIGHT: 357.36056
SMILES: C1C[C@H](OC1)COC2=CC=CC(=C2)C(=O)NNC3=CC=CC=C3[N+](=O)[O-]
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Product OPENEYE NAME: N'-(2-nitrophenyl)-3-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzohydrazide
CAS Name: N'-(2-nitrophenyl)-3-[[(2R)-2-oxolanyl]methoxy]benzohydrazide
IUPAC NAME: N'-(2-nitrophenyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
SYSTEMATIC NAME: N'-(2-nitrophenyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
MOLECULAR FORMULA: C18H19N3O5
MOLECULAR WEIGHT: 357.36056
SMILES: C1C[C@@H](OC1)COC2=CC=CC(=C2)C(=O)NNC3=CC=CC=C3[N+](=O)[O-]
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Product OPENEYE NAME: N-(3-nitrophenyl)-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CAS Name: N-(3-nitrophenyl)-3-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]propanamide
IUPAC NAME: N-(3-nitrophenyl)-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
SYSTEMATIC NAME: N-(3-nitrophenyl)-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
MOLECULAR FORMULA: C20H21F3N4O5S
MOLECULAR WEIGHT: 486.46475
SMILES: C1CN(CCN1CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C(F)(F)F
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Product OPENEYE NAME: N-(2-nitrophenyl)-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CAS Name: N-(2-nitrophenyl)-3-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]propanamide
IUPAC NAME: N-(2-nitrophenyl)-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
SYSTEMATIC NAME: N-(2-nitrophenyl)-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
MOLECULAR FORMULA: C20H21F3N4O5S
MOLECULAR WEIGHT: 486.46475
SMILES: C1CN(CCN1CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C(F)(F)F
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Product OPENEYE NAME: 2-[2-[[(2R)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CAS Name: 2-[2-[[(2R)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-N-(4-methylsulfonylphenyl)acetamide
IUPAC NAME: 2-[2-[[(2R)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-N-(4-methylsulfonylphenyl)acetamide
SYSTEMATIC NAME: N-(4-methylsulfonylphenyl)-2-[2-[[(2R)-2-oxidanylpropyl]amino]-3H-benzimidazol-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C19H23N4O4S+
MOLECULAR WEIGHT: 403.47532
SMILES: C[C@H](CNC1=[N+](C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C)O
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Product OPENEYE NAME: 2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CAS Name: 2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-N-(4-methylsulfonylphenyl)acetamide
IUPAC NAME: 2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-N-(4-methylsulfonylphenyl)acetamide
SYSTEMATIC NAME: N-(4-methylsulfonylphenyl)-2-[2-[[(2S)-2-oxidanylpropyl]amino]-3H-benzimidazol-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C19H23N4O4S+
MOLECULAR WEIGHT: 403.47532
SMILES: C[C@@H](CNC1=[N+](C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C)O
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Product OPENEYE NAME: (2S)-2-phenyl-2-[[4-(1-piperidylsulfonyl)phenyl]methylamino]acetamide
CAS Name: (2S)-2-phenyl-2-[[4-(1-piperidinylsulfonyl)phenyl]methylamino]acetamide
IUPAC NAME: (2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]acetamide
SYSTEMATIC NAME: (2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethanamide
MOLECULAR FORMULA: C20H25N3O3S
MOLECULAR WEIGHT: 387.4958
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CN[C@@H](C3=CC=CC=C3)C(=O)N
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Product OPENEYE NAME: (2R)-2-phenyl-2-[[4-(1-piperidylsulfonyl)phenyl]methylamino]acetamide
CAS Name: (2R)-2-phenyl-2-[[4-(1-piperidinylsulfonyl)phenyl]methylamino]acetamide
IUPAC NAME: (2R)-2-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]acetamide
SYSTEMATIC NAME: (2R)-2-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethanamide
MOLECULAR FORMULA: C20H25N3O3S
MOLECULAR WEIGHT: 387.4958
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CN[C@H](C3=CC=CC=C3)C(=O)N
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Product OPENEYE NAME: (2R)-2-phenyl-2-[2-(p-tolylsulfanyl)ethylamino]acetamide
CAS Name: (2R)-2-[2-[(4-methylphenyl)thio]ethylamino]-2-phenylacetamide
IUPAC NAME: (2R)-2-[2-(4-methylphenyl)sulfanylethylamino]-2-phenylacetamide
SYSTEMATIC NAME: (2R)-2-[2-(4-methylphenyl)sulfanylethylamino]-2-phenyl-ethanamide
MOLECULAR FORMULA: C17H20N2OS
MOLECULAR WEIGHT: 300.4185
SMILES: CC1=CC=C(C=C1)SCCN[C@H](C2=CC=CC=C2)C(=O)N
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Product OPENEYE NAME: (2S)-2-phenyl-2-[2-(p-tolylsulfanyl)ethylamino]acetamide
CAS Name: (2S)-2-[2-[(4-methylphenyl)thio]ethylamino]-2-phenylacetamide
IUPAC NAME: (2S)-2-[2-(4-methylphenyl)sulfanylethylamino]-2-phenylacetamide
SYSTEMATIC NAME: (2S)-2-[2-(4-methylphenyl)sulfanylethylamino]-2-phenyl-ethanamide
MOLECULAR FORMULA: C17H20N2OS
MOLECULAR WEIGHT: 300.4185
SMILES: CC1=CC=C(C=C1)SCCN[C@@H](C2=CC=CC=C2)C(=O)N
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Product OPENEYE NAME: N-(3,5-dimethoxyphenyl)-1-(2-fluorophenyl)-5-methyl-pyrazole-4-carboxamide
CAS Name: N-(3,5-dimethoxyphenyl)-1-(2-fluorophenyl)-5-methyl-4-pyrazolecarboxamide
IUPAC NAME: N-(3,5-dimethoxyphenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-(3,5-dimethoxyphenyl)-1-(2-fluorophenyl)-5-methyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C19H18FN3O3
MOLECULAR WEIGHT: 355.362923
SMILES: CC1=C(C=NN1C2=CC=CC=C2F)C(=O)NC3=CC(=CC(=C3)OC)OC
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