Saturday, May 18, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[5-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-2-thienyl]furan-2-carboxamide
CAS Name: N-[5-[[2-(4-ethyl-1-piperazin-4-iumyl)anilino]-oxomethyl]-2-thiophenyl]-2-furancarboxamide
IUPAC NAME: N-[5-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[5-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C22H25N4O3S+
MOLECULAR WEIGHT: 425.5239
SMILES: CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(S3)NC(=O)C4=CC=CO4
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Product OPENEYE NAME: N-[5-[[2-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]-2-thienyl]furan-2-carboxamide
CAS Name: N-[5-[[2-(4-ethyl-1-piperazinyl)anilino]-oxomethyl]-2-thiophenyl]-2-furancarboxamide
IUPAC NAME: N-[5-[[2-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[5-[[2-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C22H24N4O3S
MOLECULAR WEIGHT: 424.51596
SMILES: CCN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(S3)NC(=O)C4=CC=CO4
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 2-chloro-5-(isopropylsulfamoyl)benzoate
CAS Name: 2-chloro-5-(propan-2-ylsulfamoyl)benzoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 2-chloro-5-(propan-2-ylsulfamoyl)benzoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 2-chloranyl-5-(propan-2-ylsulfamoyl)benzoate
MOLECULAR FORMULA: C20H18ClN3O4S
MOLECULAR WEIGHT: 431.89262
SMILES: CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=CN3C=CC=CC3=C2C#N
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate
CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate
MOLECULAR FORMULA: C21H18ClN3O4S
MOLECULAR WEIGHT: 443.90332
SMILES: C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CN4C=CC=CC4=C3C#N
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Product OPENEYE NAME: N-ethyl-6-methyl-N-phenyl-pyridine-3-carboxamide
CAS Name: N-ethyl-6-methyl-N-phenyl-3-pyridinecarboxamide
IUPAC NAME: N-ethyl-6-methyl-N-phenylpyridine-3-carboxamide
SYSTEMATIC NAME: N-ethyl-6-methyl-N-phenyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: CCN(C1=CC=CC=C1)C(=O)C2=CN=C(C=C2)C
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate
CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
MOLECULAR FORMULA: C19H19ClN4O2
MOLECULAR WEIGHT: 370.83276
SMILES: CC1=NN(C(=C1C(=O)OCC2=CN3C=CC=CC3=C2C#N)Cl)CC(C)C
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Product OPENEYE NAME: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-[6-(2-furyl)-3-methyl-isoxazolo[5,4-b]pyridin-4-yl]methanone
CAS Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-[6-(2-furanyl)-3-methyl-4-isoxazolo[5,4-b]pyridinyl]methanone
IUPAC NAME: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SYSTEMATIC NAME: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
MOLECULAR FORMULA: C24H24FN4O3+
MOLECULAR WEIGHT: 435.470763
SMILES: CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)N4CCC[NH+](CC4)CC5=CC=C(C=C5)F
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Product OPENEYE NAME: methyl 2-[(4-cyano-2-ethoxy-phenoxy)methyl]furan-3-carboxylate
CAS Name: 2-[(4-cyano-2-ethoxyphenoxy)methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(4-cyano-2-ethoxyphenoxy)methyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(4-cyano-2-ethoxy-phenoxy)methyl]furan-3-carboxylate
MOLECULAR FORMULA: C16H15NO5
MOLECULAR WEIGHT: 301.294
SMILES: CCOC1=C(C=CC(=C1)C#N)OCC2=C(C=CO2)C(=O)OC
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Product OPENEYE NAME: [3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxylate
CAS Name: 1,3-dioxo-2-[[(2S)-2-oxolanyl]methyl]-5-isoindolecarboxylic acid [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester
IUPAC NAME: [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylate
SYSTEMATIC NAME: [3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-bis(oxidanylidene)-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylate
MOLECULAR FORMULA: C24H20FN3O6
MOLECULAR WEIGHT: 465.430503
SMILES: CC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C[C@@H]5CCCO5)F
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Product OPENEYE NAME: [3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxylate
CAS Name: 1,3-dioxo-2-[[(2R)-2-oxolanyl]methyl]-5-isoindolecarboxylic acid [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester
IUPAC NAME: [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxylate
SYSTEMATIC NAME: [3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-bis(oxidanylidene)-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxylate
MOLECULAR FORMULA: C24H20FN3O6
MOLECULAR WEIGHT: 465.430503
SMILES: CC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C[C@H]5CCCO5)F
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CAS Name: 3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 3-[[3,4-bis(fluoranyl)phenyl]sulfonylamino]propanoate
MOLECULAR FORMULA: C19H15F2N3O4S
MOLECULAR WEIGHT: 419.401906
SMILES: C1=CC2=C(C(=CN2C=C1)COC(=O)CCNS(=O)(=O)C3=CC(=C(C=C3)F)F)C#N
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 4-[[(2S)-tetrahydrofuran-2-yl]methylsulfamoyl]benzoate
CAS Name: 4-[[(2S)-2-oxolanyl]methylsulfamoyl]benzoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
MOLECULAR FORMULA: C22H21N3O5S
MOLECULAR WEIGHT: 439.48424
SMILES: C1C[C@H](OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 4-[[(2R)-tetrahydrofuran-2-yl]methylsulfamoyl]benzoate
CAS Name: 4-[[(2R)-2-oxolanyl]methylsulfamoyl]benzoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
MOLECULAR FORMULA: C22H21N3O5S
MOLECULAR WEIGHT: 439.48424
SMILES: C1C[C@@H](OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 4-[[(1R)-1-methylpropyl]sulfamoyl]benzoate
CAS Name: 4-[[(2R)-butan-2-yl]sulfamoyl]benzoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
MOLECULAR FORMULA: C21H21N3O4S
MOLECULAR WEIGHT: 411.47414
SMILES: CC[C@@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 4-[[(1S)-1-methylpropyl]sulfamoyl]benzoate
CAS Name: 4-[[(2S)-butan-2-yl]sulfamoyl]benzoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
MOLECULAR FORMULA: C21H21N3O4S
MOLECULAR WEIGHT: 411.47414
SMILES: CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N
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Product OPENEYE NAME: N-[5-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-thienyl]furan-2-carboxamide
CAS Name: N-[5-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-2-thiophenyl]-2-furancarboxamide
IUPAC NAME: N-[5-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[5-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylthiophen-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C23H22N2O5S
MOLECULAR WEIGHT: 438.49618
SMILES: C1C[C@@H](N(C1)C(=O)C2=CC=C(S2)NC(=O)C3=CC=CO3)C4=CC5=C(C=C4)OCCCO5
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Product OPENEYE NAME: N-[5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-thienyl]furan-2-carboxamide
CAS Name: N-[5-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-2-thiophenyl]-2-furancarboxamide
IUPAC NAME: N-[5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylthiophen-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C23H22N2O5S
MOLECULAR WEIGHT: 438.49618
SMILES: C1C[C@H](N(C1)C(=O)C2=CC=C(S2)NC(=O)C3=CC=CO3)C4=CC5=C(C=C4)OCCCO5
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