Wednesday, January 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 5-[4-[[isopropyl(methyl)amino]methyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CAS Name: 2,4-dimethyl-5-[[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: methyl 2,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]carbonyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C19H31N3O3
MOLECULAR WEIGHT: 349.46774
SMILES: CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCC(CC2)CN(C)C(C)C
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Product OPENEYE NAME: 3-butyl-7-isobutyl-8-[3-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-3-oxo-propyl]purine-2,6-dione
CAS Name: 3-butyl-8-[3-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-3-oxopropyl]-7-(2-methylpropyl)purine-2,6-dione
IUPAC NAME: 3-butyl-8-[3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-oxopropyl]-7-(2-methylpropyl)purine-2,6-dione
SYSTEMATIC NAME: 3-butyl-8-[3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-oxidanylidene-propyl]-7-(2-methylpropyl)purine-2,6-dione
MOLECULAR FORMULA: C26H44N6O3
MOLECULAR WEIGHT: 488.66596
SMILES: CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCC(CC3)CN(C)C(C)C)CC(C)C
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Product OPENEYE NAME: [1-(benzenesulfonyl)-4-piperidyl]-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]methanone
CAS Name: [1-(benzenesulfonyl)-4-piperidinyl]-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: [1-(benzenesulfonyl)piperidin-4-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-[1-(phenylsulfonyl)piperidin-4-yl]methanone
MOLECULAR FORMULA: C22H35N3O3S
MOLECULAR WEIGHT: 421.5966
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CAS Name: 1-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
IUPAC NAME: 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
SYSTEMATIC NAME: 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
MOLECULAR FORMULA: C24H34N2O3
MOLECULAR WEIGHT: 398.53836
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)COC2=CC3=C(C=C2)OC4=C3CCCC4
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Product OPENEYE NAME: [4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methanone
CAS Name: [3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: [3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: [3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C25H32N4O2
MOLECULAR WEIGHT: 420.54718
SMILES: CC1=CC=C(O1)C2=NN(C=C2C(=O)N3CCC(CC3)CN(C)C(C)C)C4=CC=CC=C4
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Product OPENEYE NAME: [4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone
CAS Name: [3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: [3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: [3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C27H34N4O2
MOLECULAR WEIGHT: 446.58446
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3OC)C4=CC=CC=C4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H32N4O2S2
MOLECULAR WEIGHT: 448.64508
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)CSCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2
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Product OPENEYE NAME: [1-(2,5-dichlorophenyl)sulfonyl-4-piperidyl]-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]methanone
CAS Name: [1-(2,5-dichlorophenyl)sulfonyl-4-piperidinyl]-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: [1-[2,5-bis(chloranyl)phenyl]sulfonylpiperidin-4-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C22H33Cl2N3O3S
MOLECULAR WEIGHT: 490.48672
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
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Product OPENEYE NAME: [4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-[3-(3-methoxyphenyl)-1-(p-tolyl)pyrazol-4-yl]methanone
CAS Name: [3-(3-methoxyphenyl)-1-(4-methylphenyl)-4-pyrazolyl]-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: [3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: [3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C28H36N4O2
MOLECULAR WEIGHT: 460.61104
SMILES: CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)N4CCC(CC4)CN(C)C(C)C
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Product OPENEYE NAME: 1-[4-[[4-[4-[[isopropyl(methyl)amino]methyl]piperidine-1-carbonyl]-1-piperidyl]sulfonyl]phenyl]ethanone
CAS Name: 1-[4-[[4-[[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-oxomethyl]-1-piperidinyl]sulfonyl]phenyl]ethanone
IUPAC NAME: 1-[4-[4-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone
SYSTEMATIC NAME: 1-[4-[4-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]carbonylpiperidin-1-yl]sulfonylphenyl]ethanone
MOLECULAR FORMULA: C24H37N3O4S
MOLECULAR WEIGHT: 463.63328
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C
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Product OPENEYE NAME: ethyl 3-[4-[[isopropyl(methyl)amino]methyl]piperidine-1-carbonyl]-5-nitro-benzoate
CAS Name: 3-[[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester
IUPAC NAME: ethyl 3-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-5-nitrobenzoate
SYSTEMATIC NAME: ethyl 3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]carbonyl-5-nitro-benzoate
MOLECULAR FORMULA: C20H29N3O5
MOLECULAR WEIGHT: 391.46136
SMILES: CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)CN(C)C(C)C)[N+](=O)[O-]
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Product OPENEYE NAME: [4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidyl]methanone
CAS Name: [4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinyl]methanone
IUPAC NAME: [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]methanone
SYSTEMATIC NAME: [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]methanone
MOLECULAR FORMULA: C23H33F3N4O3
MOLECULAR WEIGHT: 470.52833
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[[2-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-1-methyl-2-oxo-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CAS Name: 5,6-dimethyl-2-[[[1-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-1-oxopropan-2-yl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
IUPAC NAME: 5,6-dimethyl-2-[[1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-1-oxopropan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 5,6-dimethyl-2-[[1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C22H34N4O2S2
MOLECULAR WEIGHT: 450.66096
SMILES: CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCC(CC3)CN(C)C(C)C)C
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Product OPENEYE NAME: [1-[(4-fluorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazol-5-yl]-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]methanone
CAS Name: [1-[(4-fluorophenyl)methyl]-3-methyl-5-thieno[2,3-c]pyrazolyl]-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: [1-[(4-fluorophenyl)methyl]-3-methylthieno[2,3-c]pyrazol-5-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: [1-[(4-fluorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazol-5-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C24H31FN4OS
MOLECULAR WEIGHT: 442.592543
SMILES: CC1=NN(C2=C1C=C(S2)C(=O)N3CCC(CC3)CN(C)C(C)C)CC4=CC=C(C=C4)F
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Product OPENEYE NAME: [4-[(3,5-dimethylisoxazol-4-yl)methoxy]-3-methoxy-phenyl]-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]methanone
CAS Name: [4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxyphenyl]-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-phenyl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C24H35N3O4
MOLECULAR WEIGHT: 429.5524
SMILES: CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)N3CCC(CC3)CN(C)C(C)C)OC
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Product OPENEYE NAME: 2-benzo[e]benzofuran-1-yl-1-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]ethanone
CAS Name: 2-(1-benzo[e]benzofuranyl)-1-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]ethanone
IUPAC NAME: 2-benzo[e][1]benzofuran-1-yl-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
SYSTEMATIC NAME: 2-benzo[e][1]benzofuran-1-yl-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
MOLECULAR FORMULA: C24H30N2O2
MOLECULAR WEIGHT: 378.5072
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)CC2=COC3=C2C4=CC=CC=C4C=C3
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Product OPENEYE NAME: 4-bromo-N-[3-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-3-oxo-propyl]benzamide
CAS Name: 4-bromo-N-[3-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-3-oxopropyl]benzamide
IUPAC NAME: 4-bromo-N-[3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-oxopropyl]benzamide
SYSTEMATIC NAME: 4-bromanyl-N-[3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-oxidanylidene-propyl]benzamide
MOLECULAR FORMULA: C20H30BrN3O2
MOLECULAR WEIGHT: 424.3751
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)CCNC(=O)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: 2-[[4-ethoxy-3-[4-[[isopropyl(methyl)amino]methyl]piperidine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione
CAS Name: 2-[[4-ethoxy-3-[[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione
IUPAC NAME: 2-[[4-ethoxy-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[[4-ethoxy-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C28H35N3O4
MOLECULAR WEIGHT: 477.5952
SMILES: CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCC(CC4)CN(C)C(C)C
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