Friday, May 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1-[2-(isopropylamino)-2-oxo-ethyl]cyclopentanecarboxamide
CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1-cyclopentanecarboxamide
IUPAC NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
SYSTEMATIC NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
MOLECULAR FORMULA: C23H35ClN3O2+
MOLECULAR WEIGHT: 420.9959
SMILES: CC(C)NC(=O)CC1(CCCC1)C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-1-[2-(isopropylamino)-2-oxo-ethyl]cyclopentanecarboxamide
CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1-cyclopentanecarboxamide
IUPAC NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
SYSTEMATIC NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
MOLECULAR FORMULA: C23H34ClN3O2
MOLECULAR WEIGHT: 419.98796
SMILES: CC(C)NC(=O)CC1(CCCC1)C(=O)NC2CCN(CC2)CC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (2R)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CAS Name: (2R)-N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-phenyl-2-(1-tetrazolyl)propanamide
IUPAC NAME: (2R)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SYSTEMATIC NAME: (2R)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanamide
MOLECULAR FORMULA: C22H26ClN6O+
MOLECULAR WEIGHT: 425.93444
SMILES: C1C[NH+](CCC1NC(=O)[C@@H](CC2=CC=CC=C2)N3C=NN=N3)CC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (2R)-N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CAS Name: (2R)-N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-phenyl-2-(1-tetrazolyl)propanamide
IUPAC NAME: (2R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SYSTEMATIC NAME: (2R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanamide
MOLECULAR FORMULA: C22H25ClN6O
MOLECULAR WEIGHT: 424.9265
SMILES: C1CN(CCC1NC(=O)[C@@H](CC2=CC=CC=C2)N3C=NN=N3)CC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (2S)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CAS Name: (2S)-N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-phenyl-2-(1-tetrazolyl)propanamide
IUPAC NAME: (2S)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SYSTEMATIC NAME: (2S)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanamide
MOLECULAR FORMULA: C22H26ClN6O+
MOLECULAR WEIGHT: 425.93444
SMILES: C1C[NH+](CCC1NC(=O)[C@H](CC2=CC=CC=C2)N3C=NN=N3)CC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (2S)-N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CAS Name: (2S)-N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-phenyl-2-(1-tetrazolyl)propanamide
IUPAC NAME: (2S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SYSTEMATIC NAME: (2S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanamide
MOLECULAR FORMULA: C22H25ClN6O
MOLECULAR WEIGHT: 424.9265
SMILES: C1CN(CCC1NC(=O)[C@H](CC2=CC=CC=C2)N3C=NN=N3)CC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1-phenyl-cyclobutanecarboxamide
CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-1-phenyl-1-cyclobutanecarboxamide
IUPAC NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1-phenylcyclobutane-1-carboxamide
SYSTEMATIC NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1-phenyl-cyclobutane-1-carboxamide
MOLECULAR FORMULA: C23H28ClN2O+
MOLECULAR WEIGHT: 383.93422
SMILES: C1CC(C1)(C2=CC=CC=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-1-phenyl-cyclobutanecarboxamide
CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-1-phenyl-1-cyclobutanecarboxamide
IUPAC NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
SYSTEMATIC NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-phenyl-cyclobutane-1-carboxamide
MOLECULAR FORMULA: C23H27ClN2O
MOLECULAR WEIGHT: 382.92628
SMILES: C1CC(C1)(C2=CC=CC=C2)C(=O)NC3CCN(CC3)CC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 2-(2-furylmethylsulfanyl)-N-(4-pyridyl)benzamide
CAS Name: 2-(2-furanylmethylthio)-N-pyridin-4-ylbenzamide
IUPAC NAME: 2-(furan-2-ylmethylsulfanyl)-N-pyridin-4-ylbenzamide
SYSTEMATIC NAME: 2-(furan-2-ylmethylsulfanyl)-N-pyridin-4-yl-benzamide
MOLECULAR FORMULA: C17H14N2O2S
MOLECULAR WEIGHT: 310.37026
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=NC=C2)SCC3=CC=CO3
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Product OPENEYE NAME: N1,N4-bis(4-pyridyl)cyclohexane-1,4-dicarboxamide
CAS Name: N1,N4-dipyridin-4-ylcyclohexane-1,4-dicarboxamide
IUPAC NAME: 1-N,4-N-dipyridin-4-ylcyclohexane-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-dipyridin-4-ylcyclohexane-1,4-dicarboxamide
MOLECULAR FORMULA: C18H20N4O2
MOLECULAR WEIGHT: 324.377
SMILES: C1CC(CCC1C(=O)NC2=CC=NC=C2)C(=O)NC3=CC=NC=C3
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Product OPENEYE NAME: N-[3-(cyclohexoxy)propyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CAS Name: N-(3-cyclohexyloxypropyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
IUPAC NAME: N-(3-cyclohexyloxypropyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(3-cyclohexyloxypropyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C20H27N3O4S
MOLECULAR WEIGHT: 405.51108
SMILES: COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NCCCOC3CCCCC3
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Product OPENEYE NAME: N-[3-(cyclohexoxy)propyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CAS Name: N-(3-cyclohexyloxypropyl)-2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide
IUPAC NAME: N-(3-cyclohexyloxypropyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
SYSTEMATIC NAME: N-(3-cyclohexyloxypropyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
MOLECULAR FORMULA: C23H31N3O2S
MOLECULAR WEIGHT: 413.57614
SMILES: CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NCCCOC3CCCCC3)C
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Product OPENEYE NAME: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[3-(cyclohexoxy)propyl]benzamide
CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-(3-cyclohexyloxypropyl)benzamide
IUPAC NAME: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3-cyclohexyloxypropyl)benzamide
SYSTEMATIC NAME: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3-cyclohexyloxypropyl)benzamide
MOLECULAR FORMULA: C24H28N2O3S
MOLECULAR WEIGHT: 424.55572
SMILES: C1CCC(CC1)OCCCNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3
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Product OPENEYE NAME: N-[3-(cyclohexoxy)propyl]-2-(1-piperidylsulfonyl)benzamide
CAS Name: N-(3-cyclohexyloxypropyl)-2-(1-piperidinylsulfonyl)benzamide
IUPAC NAME: N-(3-cyclohexyloxypropyl)-2-piperidin-1-ylsulfonylbenzamide
SYSTEMATIC NAME: N-(3-cyclohexyloxypropyl)-2-piperidin-1-ylsulfonyl-benzamide
MOLECULAR FORMULA: C21H32N2O4S
MOLECULAR WEIGHT: 408.55478
SMILES: C1CCC(CC1)OCCCNC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3
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Product OPENEYE NAME: 2-[2-(azetidine-1-carbonyl)phenyl]sulfanylbenzonitrile
CAS Name: 2-[[2-[1-azetidinyl(oxo)methyl]phenyl]thio]benzonitrile
IUPAC NAME: 2-[2-(azetidine-1-carbonyl)phenyl]sulfanylbenzonitrile
SYSTEMATIC NAME: 2-[2-(azetidin-1-ylcarbonyl)phenyl]sulfanylbenzenecarbonitrile
MOLECULAR FORMULA: C17H14N2OS
MOLECULAR WEIGHT: 294.37086
SMILES: C1CN(C1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N
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Product OPENEYE NAME: N-cyclopropyl-4-methyl-3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CAS Name: N-cyclopropyl-4-methyl-3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-oxomethyl]benzenesulfonamide
IUPAC NAME: N-cyclopropyl-4-methyl-3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
SYSTEMATIC NAME: N-cyclopropyl-4-methyl-3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]carbonyl]benzenesulfonamide
MOLECULAR FORMULA: C19H22N2O3S2
MOLECULAR WEIGHT: 390.51958
SMILES: C[C@H]1C2=C(CCN1C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4CC4)C)SC=C2
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Product OPENEYE NAME: N-cyclopropyl-4-methyl-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CAS Name: N-cyclopropyl-4-methyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-oxomethyl]benzenesulfonamide
IUPAC NAME: N-cyclopropyl-4-methyl-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
SYSTEMATIC NAME: N-cyclopropyl-4-methyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]carbonyl]benzenesulfonamide
MOLECULAR FORMULA: C19H22N2O3S2
MOLECULAR WEIGHT: 390.51958
SMILES: C[C@@H]1C2=C(CCN1C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4CC4)C)SC=C2
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Product OPENEYE NAME: 2,6-dichloro-4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxo-propyl]carbamoyl]phenolate
CAS Name: 2,6-dichloro-4-[[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]amino]-oxomethyl]phenolate
IUPAC NAME: 2,6-dichloro-4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenolate
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxidanylidene-propyl]carbamoyl]phenolate
MOLECULAR FORMULA: C17H13Cl3NO4-
MOLECULAR WEIGHT: 401.64842
SMILES: COC(=O)C[C@H](C1=CC=CC=C1Cl)NC(=O)C2=CC(=C(C(=C2)Cl)[O-])Cl
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Product OPENEYE NAME: methyl (3R)-3-(2-chlorophenyl)-3-[(3,5-dichloro-4-hydroxy-benzoyl)amino]propanoate
CAS Name: (3R)-3-(2-chlorophenyl)-3-[[(3,5-dichloro-4-hydroxyphenyl)-oxomethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (3R)-3-(2-chlorophenyl)-3-[(3,5-dichloro-4-hydroxybenzoyl)amino]propanoate
SYSTEMATIC NAME: methyl (3R)-3-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonylamino]-3-(2-chlorophenyl)propanoate
MOLECULAR FORMULA: C17H14Cl3NO4
MOLECULAR WEIGHT: 402.65636
SMILES: COC(=O)C[C@H](C1=CC=CC=C1Cl)NC(=O)C2=CC(=C(C(=C2)Cl)O)Cl
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Product OPENEYE NAME: 2,6-dichloro-4-[[(1S)-1-(2-chlorophenyl)-3-methoxy-3-oxo-propyl]carbamoyl]phenolate
CAS Name: 2,6-dichloro-4-[[[(1S)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]amino]-oxomethyl]phenolate
IUPAC NAME: 2,6-dichloro-4-[[(1S)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenolate
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[[(1S)-1-(2-chlorophenyl)-3-methoxy-3-oxidanylidene-propyl]carbamoyl]phenolate
MOLECULAR FORMULA: C17H13Cl3NO4-
MOLECULAR WEIGHT: 401.64842
SMILES: COC(=O)C[C@@H](C1=CC=CC=C1Cl)NC(=O)C2=CC(=C(C(=C2)Cl)[O-])Cl
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