Wednesday, June 19, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[(3S)-1-benzyl-3-piperidyl]-2-phenoxy-acetamide
CAS Name: 2-phenoxy-N-[(3S)-1-(phenylmethyl)-3-piperidinyl]acetamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-3-yl]-2-phenoxyacetamide
SYSTEMATIC NAME: 2-phenoxy-N-[(3S)-1-(phenylmethyl)piperidin-3-yl]ethanamide
MOLECULAR FORMULA: C20H24N2O2
MOLECULAR WEIGHT: 324.41676
SMILES: C1C[C@@H](CN(C1)CC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3
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Product OPENEYE NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-3-phenyl-propanamide
CAS Name: 3-phenyl-N-[(3R)-1-(phenylmethyl)-3-piperidin-1-iumyl]propanamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-3-phenylpropanamide
SYSTEMATIC NAME: 3-phenyl-N-[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]propanamide
MOLECULAR FORMULA: C21H27N2O+
MOLECULAR WEIGHT: 323.45188
SMILES: C1C[C@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)CCC3=CC=CC=C3
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Product OPENEYE NAME: N-[(3R)-1-benzyl-3-piperidyl]-3-phenyl-propanamide
CAS Name: 3-phenyl-N-[(3R)-1-(phenylmethyl)-3-piperidinyl]propanamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-3-yl]-3-phenylpropanamide
SYSTEMATIC NAME: 3-phenyl-N-[(3R)-1-(phenylmethyl)piperidin-3-yl]propanamide
MOLECULAR FORMULA: C21H26N2O
MOLECULAR WEIGHT: 322.44394
SMILES: C1C[C@H](CN(C1)CC2=CC=CC=C2)NC(=O)CCC3=CC=CC=C3
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Product OPENEYE NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-3-phenyl-propanamide
CAS Name: 3-phenyl-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]propanamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-3-phenylpropanamide
SYSTEMATIC NAME: 3-phenyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]propanamide
MOLECULAR FORMULA: C21H27N2O+
MOLECULAR WEIGHT: 323.45188
SMILES: C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)CCC3=CC=CC=C3
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Product OPENEYE NAME: N-[(3S)-1-benzyl-3-piperidyl]-3-phenyl-propanamide
CAS Name: 3-phenyl-N-[(3S)-1-(phenylmethyl)-3-piperidinyl]propanamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-3-yl]-3-phenylpropanamide
SYSTEMATIC NAME: 3-phenyl-N-[(3S)-1-(phenylmethyl)piperidin-3-yl]propanamide
MOLECULAR FORMULA: C21H26N2O
MOLECULAR WEIGHT: 322.44394
SMILES: C1C[C@@H](CN(C1)CC2=CC=CC=C2)NC(=O)CCC3=CC=CC=C3
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Product OPENEYE NAME: (7R,8R,9S,13S,14S,17S)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (7R,8R,9S,13S,14S,17S)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (7R,8R,9S,13S,14S,17S)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (7R,8R,9S,13S,14S,17S)-17-ethynyl-7,13-dimethyl-17-oxidanyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: C[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@@]([C@]4(CC3)C)(C#C)O
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Product OPENEYE NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]benzamide
CAS Name: N-[(3R)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]benzamide
SYSTEMATIC NAME: N-[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide
MOLECULAR FORMULA: C19H23N2O+
MOLECULAR WEIGHT: 295.39872
SMILES: C1C[C@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(3R)-1-benzyl-3-piperidyl]benzamide
CAS Name: N-[(3R)-1-(phenylmethyl)-3-piperidinyl]benzamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-3-yl]benzamide
SYSTEMATIC NAME: N-[(3R)-1-(phenylmethyl)piperidin-3-yl]benzamide
MOLECULAR FORMULA: C19H22N2O
MOLECULAR WEIGHT: 294.39078
SMILES: C1C[C@H](CN(C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]benzamide
CAS Name: N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]benzamide
SYSTEMATIC NAME: N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide
MOLECULAR FORMULA: C19H23N2O+
MOLECULAR WEIGHT: 295.39872
SMILES: C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(3S)-1-benzyl-3-piperidyl]benzamide
CAS Name: N-[(3S)-1-(phenylmethyl)-3-piperidinyl]benzamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-3-yl]benzamide
SYSTEMATIC NAME: N-[(3S)-1-(phenylmethyl)piperidin-3-yl]benzamide
MOLECULAR FORMULA: C19H22N2O
MOLECULAR WEIGHT: 294.39078
SMILES: C1C[C@@H](CN(C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2,3-trimethylbutanoate
CAS Name: 2,2,3-trimethylbutanoic acid [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
IUPAC NAME: [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2,3-trimethylbutanoate
SYSTEMATIC NAME: [(1S,7S,8S,8aR)-7-methyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2,3-trimethylbutanoate
MOLECULAR FORMULA: C25H38O5
MOLECULAR WEIGHT: 418.56622
SMILES: C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)C(C)(C)C(C)C
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Product OPENEYE NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-2-fluoro-benzamide
CAS Name: 2-fluoro-N-[(3R)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-2-fluorobenzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide
MOLECULAR FORMULA: C19H22FN2O+
MOLECULAR WEIGHT: 313.389183
SMILES: C1C[C@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: N-[(3R)-1-benzyl-3-piperidyl]-2-fluoro-benzamide
CAS Name: 2-fluoro-N-[(3R)-1-(phenylmethyl)-3-piperidinyl]benzamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-3-yl]-2-fluorobenzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[(3R)-1-(phenylmethyl)piperidin-3-yl]benzamide
MOLECULAR FORMULA: C19H21FN2O
MOLECULAR WEIGHT: 312.381243
SMILES: C1C[C@H](CN(C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-fluoro-benzamide
CAS Name: 2-fluoro-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-fluorobenzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide
MOLECULAR FORMULA: C19H22FN2O+
MOLECULAR WEIGHT: 313.389183
SMILES: C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: N-[(3S)-1-benzyl-3-piperidyl]-2-fluoro-benzamide
CAS Name: 2-fluoro-N-[(3S)-1-(phenylmethyl)-3-piperidinyl]benzamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-3-yl]-2-fluorobenzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[(3S)-1-(phenylmethyl)piperidin-3-yl]benzamide
MOLECULAR FORMULA: C19H21FN2O
MOLECULAR WEIGHT: 312.381243
SMILES: C1C[C@@H](CN(C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]cyclopropanecarboxamide
CAS Name: N-[(3R)-1-(phenylmethyl)-3-piperidin-1-iumyl]cyclopropanecarboxamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]cyclopropanecarboxamide
SYSTEMATIC NAME: N-[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]cyclopropanecarboxamide
MOLECULAR FORMULA: C16H23N2O+
MOLECULAR WEIGHT: 259.36662
SMILES: C1C[C@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3CC3
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Product OPENEYE NAME: N-[(3R)-1-benzyl-3-piperidyl]cyclopropanecarboxamide
CAS Name: N-[(3R)-1-(phenylmethyl)-3-piperidinyl]cyclopropanecarboxamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-3-yl]cyclopropanecarboxamide
SYSTEMATIC NAME: N-[(3R)-1-(phenylmethyl)piperidin-3-yl]cyclopropanecarboxamide
MOLECULAR FORMULA: C16H22N2O
MOLECULAR WEIGHT: 258.35868
SMILES: C1C[C@H](CN(C1)CC2=CC=CC=C2)NC(=O)C3CC3
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Product OPENEYE NAME: [2-[(8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-1,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
CAS Name: acetic acid [2-[(8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-1,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
IUPAC NAME: [2-[(8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-1,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(8S,9S,10S,11S,13S,14S,17R)-1,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] ethanoate
MOLECULAR FORMULA: C24H32O6
MOLECULAR WEIGHT: 416.50728
SMILES: CC1=CC(=O)C=C2[C@]1([C@@H]3[C@@H](CC2)[C@@H]4CC[C@@]([C@]4(C[C@@H]3O)C)(C(=O)COC(=O)C)O)C
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Product OPENEYE NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]cyclopropanecarboxamide
CAS Name: N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]cyclopropanecarboxamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]cyclopropanecarboxamide
SYSTEMATIC NAME: N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]cyclopropanecarboxamide
MOLECULAR FORMULA: C16H23N2O+
MOLECULAR WEIGHT: 259.36662
SMILES: C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3CC3
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Product OPENEYE NAME: N-[(3S)-1-benzyl-3-piperidyl]cyclopropanecarboxamide
CAS Name: N-[(3S)-1-(phenylmethyl)-3-piperidinyl]cyclopropanecarboxamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-3-yl]cyclopropanecarboxamide
SYSTEMATIC NAME: N-[(3S)-1-(phenylmethyl)piperidin-3-yl]cyclopropanecarboxamide
MOLECULAR FORMULA: C16H22N2O
MOLECULAR WEIGHT: 258.35868
SMILES: C1C[C@@H](CN(C1)CC2=CC=CC=C2)NC(=O)C3CC3
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Product OPENEYE NAME: [2-[(8S,9S,10S,11R,13S,14S,17R)-11,17-dihydroxy-1,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
CAS Name: acetic acid [2-[(8S,9S,10S,11R,13S,14S,17R)-11,17-dihydroxy-1,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
IUPAC NAME: [2-[(8S,9S,10S,11R,13S,14S,17R)-11,17-dihydroxy-1,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(8S,9S,10S,11R,13S,14S,17R)-1,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] ethanoate
MOLECULAR FORMULA: C24H32O6
MOLECULAR WEIGHT: 416.50728
SMILES: CC1=CC(=O)C=C2[C@]1([C@@H]3[C@@H](CC2)[C@@H]4CC[C@@]([C@]4(C[C@H]3O)C)(C(=O)COC(=O)C)O)C
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Product OPENEYE NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-2,4-dichloro-benzamide
CAS Name: 2,4-dichloro-N-[(3R)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-2,4-dichlorobenzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N-[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide
MOLECULAR FORMULA: C19H21Cl2N2O+
MOLECULAR WEIGHT: 364.28884
SMILES: C1C[C@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N-[(3R)-1-benzyl-3-piperidyl]-2,4-dichloro-benzamide
CAS Name: 2,4-dichloro-N-[(3R)-1-(phenylmethyl)-3-piperidinyl]benzamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-3-yl]-2,4-dichlorobenzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N-[(3R)-1-(phenylmethyl)piperidin-3-yl]benzamide
MOLECULAR FORMULA: C19H20Cl2N2O
MOLECULAR WEIGHT: 363.2809
SMILES: C1C[C@H](CN(C1)CC2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: (6S,7S)-3-(acetoxymethyl)-7-[[2-(2-aminoimidazol-4-ylidene)-2-(methoxyamino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: (6S,7S)-3-(acetyloxymethyl)-7-[[2-(2-amino-4-imidazolylidene)-2-(methoxyamino)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: (6S,7S)-3-(acetyloxymethyl)-7-[[2-(2-aminoimidazol-4-ylidene)-2-(methoxyamino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (6S,7S)-3-(acetyloxymethyl)-7-[[2-(2-azanylimidazol-4-ylidene)-2-(methoxyamino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C16H17N6O7S-
MOLECULAR WEIGHT: 437.40718
SMILES: CC(=O)OCC1=C(N2[C@H]([C@H](C2=O)NC(=O)C(=C3C=NC(=N3)N)NOC)SC1)C(=O)[O-]
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