Sunday, January 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N1-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-N4-[1-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidyl]terephthalamide
CAS Name: N1-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-N4-[1-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]benzene-1,4-dicarboxamide
IUPAC NAME: 1-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C34H36F3N5O2
MOLECULAR WEIGHT: 603.67715
SMILES: C1CN(CCC1NC(=O)C2=CC=C(C=C2)C(=O)NC3CCN(CC3)CC4=CC=C(C=C4)C(F)(F)F)CC5=CC=C(C=C5)C#N
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Product OPENEYE NAME: N1-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-N4-(1-phenyl-4-piperidyl)terephthalamide
CAS Name: N1-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-N4-(1-phenyl-4-piperidinyl)benzene-1,4-dicarboxamide
IUPAC NAME: 1-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-N-(1-phenylpiperidin-4-yl)benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N4-(1-phenylpiperidin-4-yl)benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C32H35N5O2
MOLECULAR WEIGHT: 521.6526
SMILES: C1CN(CCC1NC(=O)C2=CC=C(C=C2)C(=O)NC3CCN(CC3)C4=CC=CC=C4)CC5=CC=C(C=C5)C#N
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Product OPENEYE NAME: N1-(1-benzyl-4-piperidyl)-N4-[1-[(4-cyanophenyl)methyl]-4-piperidyl]terephthalamide
CAS Name: N4-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-N1-[1-(phenylmethyl)-4-piperidinyl]benzene-1,4-dicarboxamide
IUPAC NAME: 1-N-(1-benzylpiperidin-4-yl)-4-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N1-[1-(phenylmethyl)piperidin-4-yl]benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C33H37N5O2
MOLECULAR WEIGHT: 535.67918
SMILES: C1CN(CCC1NC(=O)C2=CC=C(C=C2)C(=O)NC3CCN(CC3)CC4=CC=C(C=C4)C#N)CC5=CC=CC=C5
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Product OPENEYE NAME: tert-butyl 2-[cyclohexylmethyl-[2-(6-methoxy-1H-indol-3-yl)-2-oxo-acetyl]amino]acetate
CAS Name: 2-[cyclohexylmethyl-[2-(6-methoxy-1H-indol-3-yl)-1,2-dioxoethyl]amino]acetic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-[cyclohexylmethyl-[2-(6-methoxy-1H-indol-3-yl)-2-oxoacetyl]amino]acetate
SYSTEMATIC NAME: tert-butyl 2-[cyclohexylmethyl-[2-(6-methoxy-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]ethanoate
MOLECULAR FORMULA: C24H32N2O5
MOLECULAR WEIGHT: 428.52128
SMILES: CC(C)(C)OC(=O)CN(CC1CCCCC1)C(=O)C(=O)C2=CNC3=C2C=CC(=C3)OC
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Product OPENEYE NAME: ethyl 5-(3,5-difluorophenyl)sulfonyl-3-[[2-[[(1R)-2-methoxy-1-methyl-ethyl]amino]-4-(4-methylpiperazin-1-yl)benzoyl]amino]indazole-1-carboxylate
CAS Name: 5-(3,5-difluorophenyl)sulfonyl-3-[[[2-[[(2R)-1-methoxypropan-2-yl]amino]-4-(4-methyl-1-piperazinyl)phenyl]-oxomethyl]amino]-1-indazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-(3,5-difluorophenyl)sulfonyl-3-[[2-[[(2R)-1-methoxypropan-2-yl]amino]-4-(4-methylpiperazin-1-yl)benzoyl]amino]indazole-1-carboxylate
SYSTEMATIC NAME: ethyl 5-[3,5-bis(fluoranyl)phenyl]sulfonyl-3-[[2-[[(2R)-1-methoxypropan-2-yl]amino]-4-(4-methylpiperazin-1-yl)phenyl]carbonylamino]indazole-1-carboxylate
MOLECULAR FORMULA: C32H36F2N6O6S
MOLECULAR WEIGHT: 670.726646
SMILES: CCOC(=O)N1C2=C(C=C(C=C2)S(=O)(=O)C3=CC(=CC(=C3)F)F)C(=N1)NC(=O)C4=C(C=C(C=C4)N5CCN(CC5)C)N[C@H](C)COC
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Product OPENEYE NAME: 5-chloro-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-benzamide; 2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one; methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
CAS Name: N-(6-benzoyl-1H-benzimidazol-2-yl)carbamic acid methyl ester; 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide; 2-[cyclohexyl(oxo)methyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
IUPAC NAME: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide; 2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one; methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
SYSTEMATIC NAME: 5-chloranyl-N-(2-chloranyl-4-nitro-phenyl)-2-oxidanyl-benzamide; 2-cyclohexylcarbonyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one; methyl N-[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]carbamate
MOLECULAR FORMULA: C48H45Cl2N7O9
MOLECULAR WEIGHT: 934.8184
SMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3.C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2.C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O
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Product OPENEYE NAME: 2-[4-[(4-butoxyphenyl)sulfonylamino]phenoxy]-5-(3,4-difluoroanilino)benzoic acid
CAS Name: 2-[4-[(4-butoxyphenyl)sulfonylamino]phenoxy]-5-(3,4-difluoroanilino)benzoic acid
IUPAC NAME: 2-[4-[(4-butoxyphenyl)sulfonylamino]phenoxy]-5-(3,4-difluoroanilino)benzoic acid
SYSTEMATIC NAME: 5-[[3,4-bis(fluoranyl)phenyl]amino]-2-[4-[(4-butoxyphenyl)sulfonylamino]phenoxy]benzoic acid
MOLECULAR FORMULA: C29H26F2N2O6S
MOLECULAR WEIGHT: 568.588346
SMILES: CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC3=C(C=C(C=C3)NC4=CC(=C(C=C4)F)F)C(=O)O
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Product OPENEYE NAME: 4-[4-(1,1,2,2-tetrafluoroethoxy)phenoxy]piperidine hydrochloride
CAS Name: 4-[4-(1,1,2,2-tetrafluoroethoxy)phenoxy]piperidine hydrochloride
IUPAC NAME: 4-[4-(1,1,2,2-tetrafluoroethoxy)phenoxy]piperidine hydrochloride
SYSTEMATIC NAME: 4-[4-[1,1,2,2-tetrakis(fluoranyl)ethoxy]phenoxy]piperidine hydrochloride
MOLECULAR FORMULA: C13H16ClF4NO2
MOLECULAR WEIGHT: 329.718253
SMILES: C1CNCCC1OC2=CC=C(C=C2)OC(C(F)F)(F)F.Cl
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Product OPENEYE NAME: 4-[4-(1,1,2,2-tetrafluoroethoxy)phenoxy]piperidine
CAS Name: 4-[4-(1,1,2,2-tetrafluoroethoxy)phenoxy]piperidine
IUPAC NAME: 4-[4-(1,1,2,2-tetrafluoroethoxy)phenoxy]piperidine
SYSTEMATIC NAME: 4-[4-[1,1,2,2-tetrakis(fluoranyl)ethoxy]phenoxy]piperidine
MOLECULAR FORMULA: C13H15F4NO2
MOLECULAR WEIGHT: 293.257313
SMILES: C1CNCCC1OC2=CC=C(C=C2)OC(C(F)F)(F)F
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Product OPENEYE NAME: isopropyl N-[(2S)-7-cyano-4-[[(2R,3S)-3-hydroxy-1-methyl-pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
CAS Name: N-[(2S)-7-cyano-4-[[(2R,3S)-3-hydroxy-1-methyl-2-pyrrolidinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid propan-2-yl ester
IUPAC NAME: propan-2-yl N-[(2S)-7-cyano-4-[[(2R,3S)-3-hydroxy-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
SYSTEMATIC NAME: propan-2-yl N-[(2S)-7-cyano-4-[[(2R,3S)-1-methyl-3-oxidanyl-pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
MOLECULAR FORMULA: C22H28N4O3
MOLECULAR WEIGHT: 396.48272
SMILES: CC(C)OC(=O)N[C@H]1CC2=C(C1)N(C3=C2C=C(C=C3)C#N)C[C@@H]4[C@H](CCN4C)O
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