Monday, January 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-isopropyl-2-[3-(trifluoromethyl)-1-piperidyl]acetamide
CAS Name: N-propan-2-yl-2-[3-(trifluoromethyl)-1-piperidinyl]acetamide
IUPAC NAME: N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
SYSTEMATIC NAME: N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamide
MOLECULAR FORMULA: C11H19F3N2O
MOLECULAR WEIGHT: 252.27657
SMILES: CC(C)NC(=O)CN1CCCC(C1)C(F)(F)F
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Product OPENEYE NAME: 6-[[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]methyl]-1H-pyrimidine-2,4-dione
CAS Name: 6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione
IUPAC NAME: 6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H13ClFN3O2
MOLECULAR WEIGHT: 297.712623
SMILES: CN(CC1=CC(=O)NC(=O)N1)CC2=C(C=CC=C2Cl)F
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Product OPENEYE NAME: [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-tetrahydrofuran-2-yl-methanone
CAS Name: 2-oxolanyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-piperazinyl]methanone
IUPAC NAME: oxolan-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
SYSTEMATIC NAME: oxolan-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C18H22N4O3
MOLECULAR WEIGHT: 342.39228
SMILES: C1CC(OC1)C(=O)N2CCN(CC2)CC3=NN=C(O3)C4=CC=CC=C4
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Product OPENEYE NAME: N-cyclopropyl-2-[(4-fluorophenyl)methyl-methyl-amino]acetamide
CAS Name: N-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]acetamide
IUPAC NAME: N-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SYSTEMATIC NAME: N-cyclopropyl-2-[(4-fluorophenyl)methyl-methyl-amino]ethanamide
MOLECULAR FORMULA: C13H17FN2O
MOLECULAR WEIGHT: 236.285283
SMILES: CN(CC1=CC=C(C=C1)F)CC(=O)NC2CC2
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Product OPENEYE NAME: 2-[(4-fluorophenyl)methyl-methyl-amino]-N-(3-methoxypropyl)acetamide
CAS Name: 2-[(4-fluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
IUPAC NAME: 2-[(4-fluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
SYSTEMATIC NAME: 2-[(4-fluorophenyl)methyl-methyl-amino]-N-(3-methoxypropyl)ethanamide
MOLECULAR FORMULA: C14H21FN2O2
MOLECULAR WEIGHT: 268.327143
SMILES: CN(CC1=CC=C(C=C1)F)CC(=O)NCCCOC
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Product OPENEYE NAME: 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxamide
CAS Name: 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidinecarboxamide
IUPAC NAME: 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxamide
SYSTEMATIC NAME: 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxamide
MOLECULAR FORMULA: C15H18N4O2
MOLECULAR WEIGHT: 286.32902
SMILES: C1CCN(C(C1)C(=O)N)CC2=NN=C(O2)C3=CC=CC=C3
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Product OPENEYE NAME: 1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide
CAS Name: 1-[[3-(dimethylsulfamoyl)phenyl]methyl]-2-piperidinecarboxamide
IUPAC NAME: 1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide
SYSTEMATIC NAME: 1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide
MOLECULAR FORMULA: C15H23N3O3S
MOLECULAR WEIGHT: 325.42642
SMILES: CN(C)S(=O)(=O)C1=CC=CC(=C1)CN2CCCCC2C(=O)N
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Product OPENEYE NAME: 1-[2-(benzenesulfonyl)ethyl]piperidine-2-carboxamide
CAS Name: 1-[2-(benzenesulfonyl)ethyl]-2-piperidinecarboxamide
IUPAC NAME: 1-[2-(benzenesulfonyl)ethyl]piperidine-2-carboxamide
SYSTEMATIC NAME: 1-[2-(phenylsulfonyl)ethyl]piperidine-2-carboxamide
MOLECULAR FORMULA: C14H20N2O3S
MOLECULAR WEIGHT: 296.3852
SMILES: C1CCN(C(C1)C(=O)N)CCS(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 1-[2-[methyl(p-tolylmethyl)amino]-2-oxo-ethyl]piperidine-2-carboxamide
CAS Name: 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-piperidinecarboxamide
IUPAC NAME: 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]piperidine-2-carboxamide
SYSTEMATIC NAME: 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl]piperidine-2-carboxamide
MOLECULAR FORMULA: C17H25N3O2
MOLECULAR WEIGHT: 303.3993
SMILES: CC1=CC=C(C=C1)CN(C)C(=O)CN2CCCCC2C(=O)N
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Product OPENEYE NAME: 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
CAS Name: 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidinecarboxamide
IUPAC NAME: 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
SYSTEMATIC NAME: 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
MOLECULAR FORMULA: C15H18N4O2
MOLECULAR WEIGHT: 286.32902
SMILES: C1CCN(C(C1)C(=O)N)CC2=NC(=NO2)C3=CC=CC=C3
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Product OPENEYE NAME: 1-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]piperidine-2-carboxamide
CAS Name: 1-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-2-piperidinecarboxamide
IUPAC NAME: 1-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]piperidine-2-carboxamide
SYSTEMATIC NAME: 1-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]piperidine-2-carboxamide
MOLECULAR FORMULA: C18H25N3O2S
MOLECULAR WEIGHT: 347.475
SMILES: CC1CCN(C2=CC=CC=C2S1)C(=O)CN3CCCCC3C(=O)N
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Product OPENEYE NAME: 1-[(2-phenylthiazol-4-yl)methyl]piperidine-2-carboxamide
CAS Name: 1-[(2-phenyl-4-thiazolyl)methyl]-2-piperidinecarboxamide
IUPAC NAME: 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
SYSTEMATIC NAME: 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
MOLECULAR FORMULA: C16H19N3OS
MOLECULAR WEIGHT: 301.40656
SMILES: C1CCN(C(C1)C(=O)N)CC2=CSC(=N2)C3=CC=CC=C3
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Product OPENEYE NAME: 1-[2-(3-ethylanilino)-2-oxo-ethyl]piperidine-3-carboxamide
CAS Name: 1-[2-(3-ethylanilino)-2-oxoethyl]-3-piperidinecarboxamide
IUPAC NAME: 1-[2-(3-ethylanilino)-2-oxoethyl]piperidine-3-carboxamide
SYSTEMATIC NAME: 1-[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxamide
MOLECULAR FORMULA: C16H23N3O2
MOLECULAR WEIGHT: 289.37272
SMILES: CCC1=CC(=CC=C1)NC(=O)CN2CCCC(C2)C(=O)N
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Product OPENEYE NAME: 1-[2-(3-methoxypropylamino)-2-oxo-ethyl]piperidine-3-carboxamide
CAS Name: 1-[2-(3-methoxypropylamino)-2-oxoethyl]-3-piperidinecarboxamide
IUPAC NAME: 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-3-carboxamide
SYSTEMATIC NAME: 1-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxamide
MOLECULAR FORMULA: C12H23N3O3
MOLECULAR WEIGHT: 257.32932
SMILES: COCCCNC(=O)CN1CCCC(C1)C(=O)N
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Product OPENEYE NAME: 1-[2-(allylamino)-2-oxo-ethyl]piperidine-3-carboxamide
CAS Name: 1-[2-oxo-2-(prop-2-enylamino)ethyl]-3-piperidinecarboxamide
IUPAC NAME: 1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-3-carboxamide
SYSTEMATIC NAME: 1-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperidine-3-carboxamide
MOLECULAR FORMULA: C11H19N3O2
MOLECULAR WEIGHT: 225.28746
SMILES: C=CCNC(=O)CN1CCCC(C1)C(=O)N
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Product OPENEYE NAME: 1-(2-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CAS Name: 1-(2-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
IUPAC NAME: 1-(2-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
MOLECULAR FORMULA: C17H15Cl2N3O
MOLECULAR WEIGHT: 348.2265
SMILES: CC(C1=CC=CC=C1Cl)NCC2=NN=C(O2)C3=CC=C(C=C3)Cl
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