Friday, May 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N,6-dimethyl-N-(p-tolylmethyl)pyridine-3-carboxamide
CAS Name: N,6-dimethyl-N-[(4-methylphenyl)methyl]-3-pyridinecarboxamide
IUPAC NAME: N,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SYSTEMATIC NAME: N,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C16H18N2O
MOLECULAR WEIGHT: 254.32692
SMILES: CC1=CC=C(C=C1)CN(C)C(=O)C2=CN=C(C=C2)C
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Product OPENEYE NAME: N-[(2-fluorophenyl)methyl]-N,1,3,5-tetramethyl-pyrazole-4-carboxamide
CAS Name: N-[(2-fluorophenyl)methyl]-N,1,3,5-tetramethyl-4-pyrazolecarboxamide
IUPAC NAME: N-[(2-fluorophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-[(2-fluorophenyl)methyl]-N,1,3,5-tetramethyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C15H18FN3O
MOLECULAR WEIGHT: 275.321323
SMILES: CC1=C(C(=NN1C)C)C(=O)N(C)CC2=CC=CC=C2F
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Product OPENEYE NAME: (2S)-N-[(2-fluorophenyl)methyl]-N-methyl-pyrrolidin-1-ium-2-carboxamide
CAS Name: (2S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-1-iumcarboxamide
IUPAC NAME: (2S)-N-[(2-fluorophenyl)methyl]-N-methylpyrrolidin-1-ium-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(2-fluorophenyl)methyl]-N-methyl-pyrrolidin-1-ium-2-carboxamide
MOLECULAR FORMULA: C13H18FN2O+
MOLECULAR WEIGHT: 237.293223
SMILES: CN(CC1=CC=CC=C1F)C(=O)[C@@H]2CCC[NH2+]2
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Product OPENEYE NAME: (2S)-N-[(2-fluorophenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide
CAS Name: (2S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-pyrrolidinecarboxamide
IUPAC NAME: (2S)-N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(2-fluorophenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C13H17FN2O
MOLECULAR WEIGHT: 236.285283
SMILES: CN(CC1=CC=CC=C1F)C(=O)[C@@H]2CCCN2
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Product OPENEYE NAME: (2R)-N-[(2-fluorophenyl)methyl]-N-methyl-pyrrolidin-1-ium-2-carboxamide
CAS Name: (2R)-N-[(2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-1-iumcarboxamide
IUPAC NAME: (2R)-N-[(2-fluorophenyl)methyl]-N-methylpyrrolidin-1-ium-2-carboxamide
SYSTEMATIC NAME: (2R)-N-[(2-fluorophenyl)methyl]-N-methyl-pyrrolidin-1-ium-2-carboxamide
MOLECULAR FORMULA: C13H18FN2O+
MOLECULAR WEIGHT: 237.293223
SMILES: CN(CC1=CC=CC=C1F)C(=O)[C@H]2CCC[NH2+]2
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Product OPENEYE NAME: (2R)-N-[(2-fluorophenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide
CAS Name: (2R)-N-[(2-fluorophenyl)methyl]-N-methyl-2-pyrrolidinecarboxamide
IUPAC NAME: (2R)-N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2R)-N-[(2-fluorophenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C13H17FN2O
MOLECULAR WEIGHT: 236.285283
SMILES: CN(CC1=CC=CC=C1F)C(=O)[C@H]2CCCN2
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Product OPENEYE NAME: (4-propylpiperazin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CAS Name: (4-propyl-1-piperazinyl)-(1,3,5-trimethyl-4-pyrazolyl)methanone
IUPAC NAME: (4-propylpiperazin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SYSTEMATIC NAME: (4-propylpiperazin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
MOLECULAR FORMULA: C14H24N4O
MOLECULAR WEIGHT: 264.36656
SMILES: CCCN1CCN(CC1)C(=O)C2=C(N(N=C2C)C)C
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Product OPENEYE NAME: 2-methyl-5-(methylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CAS Name: 2-methyl-5-(methylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
IUPAC NAME: 2-methyl-5-(methylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
SYSTEMATIC NAME: 2-methyl-5-(methylsulfamoyl)-N-[2-oxidanylidene-2-(propylamino)ethyl]benzamide
MOLECULAR FORMULA: C14H21N3O4S
MOLECULAR WEIGHT: 327.39924
SMILES: CCCNC(=O)CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)NC)C
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Product OPENEYE NAME: 4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(1R)-1-(3-pyridyl)ethyl]benzamide
CAS Name: 4-[(6-methyl-2-imidazo[1,2-a]pyridinyl)methoxy]-N-[(1R)-1-(3-pyridinyl)ethyl]benzamide
IUPAC NAME: 4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(1R)-1-pyridin-3-ylethyl]benzamide
SYSTEMATIC NAME: 4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(1R)-1-pyridin-3-ylethyl]benzamide
MOLECULAR FORMULA: C23H22N4O2
MOLECULAR WEIGHT: 386.44638
SMILES: CC1=CN2C=C(N=C2C=C1)COC3=CC=C(C=C3)C(=O)N[C@H](C)C4=CN=CC=C4
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Product OPENEYE NAME: 4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(1S)-1-(3-pyridyl)ethyl]benzamide
CAS Name: 4-[(6-methyl-2-imidazo[1,2-a]pyridinyl)methoxy]-N-[(1S)-1-(3-pyridinyl)ethyl]benzamide
IUPAC NAME: 4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide
SYSTEMATIC NAME: 4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide
MOLECULAR FORMULA: C23H22N4O2
MOLECULAR WEIGHT: 386.44638
SMILES: CC1=CN2C=C(N=C2C=C1)COC3=CC=C(C=C3)C(=O)N[C@@H](C)C4=CN=CC=C4
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Product OPENEYE NAME: (2R)-1-[(E)-3-(m-tolyl)prop-2-enoyl]piperidine-2-carboxamide
CAS Name: (2R)-1-[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]-2-piperidinecarboxamide
IUPAC NAME: (2R)-1-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidine-2-carboxamide
SYSTEMATIC NAME: (2R)-1-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidine-2-carboxamide
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: CC1=CC=CC(=C1)/C=C/C(=O)N2CCCC[C@@H]2C(=O)N
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Product OPENEYE NAME: (2S)-1-[(E)-3-(m-tolyl)prop-2-enoyl]piperidine-2-carboxamide
CAS Name: (2S)-1-[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]-2-piperidinecarboxamide
IUPAC NAME: (2S)-1-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidine-2-carboxamide
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: CC1=CC=CC(=C1)/C=C/C(=O)N2CCCC[C@H]2C(=O)N
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Product OPENEYE NAME: N-(2-furylmethyl)-N,1,3,5-tetramethyl-pyrazole-4-carboxamide
CAS Name: N-(2-furanylmethyl)-N,1,3,5-tetramethyl-4-pyrazolecarboxamide
IUPAC NAME: N-(furan-2-ylmethyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-N,1,3,5-tetramethyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C13H17N3O2
MOLECULAR WEIGHT: 247.29298
SMILES: CC1=C(C(=NN1C)C)C(=O)N(C)CC2=CC=CO2
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Product OPENEYE NAME: methyl 2-ethyl-5-[methoxy(methyl)carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CAS Name: 2-ethyl-5-[[methoxy(methyl)amino]-oxomethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2-ethyl-5-[methoxy(methyl)carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: methyl 2-ethyl-5-[methoxy(methyl)carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C12H18N2O4
MOLECULAR WEIGHT: 254.28232
SMILES: CCC1=C(C(=C(N1)C(=O)N(C)OC)C)C(=O)OC
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Product OPENEYE NAME: N-methoxy-N,1,5-trimethyl-pyrrole-2-carboxamide
CAS Name: N-methoxy-N,1,5-trimethyl-2-pyrrolecarboxamide
IUPAC NAME: N-methoxy-N,1,5-trimethylpyrrole-2-carboxamide
SYSTEMATIC NAME: N-methoxy-N,1,5-trimethyl-pyrrole-2-carboxamide
MOLECULAR FORMULA: C9H14N2O2
MOLECULAR WEIGHT: 182.21966
SMILES: CC1=CC=C(N1C)C(=O)N(C)OC
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Product OPENEYE NAME: diethyl-[(1R)-2-[(2-methyl-2-phenyl-propanoyl)amino]-1-phenyl-ethyl]ammonium
CAS Name: diethyl-[(1R)-2-[(2-methyl-1-oxo-2-phenylpropyl)amino]-1-phenylethyl]ammonium
IUPAC NAME: diethyl-[(1R)-2-[(2-methyl-2-phenylpropanoyl)amino]-1-phenylethyl]azanium
SYSTEMATIC NAME: diethyl-[(1R)-2-[(2-methyl-2-phenyl-propanoyl)amino]-1-phenyl-ethyl]azanium
MOLECULAR FORMULA: C22H31N2O+
MOLECULAR WEIGHT: 339.49434
SMILES: CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)C1=CC=CC=C1)C2=CC=CC=C2
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