Thursday, May 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-tert-butyl-2-chloro-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
CAS Name: N-tert-butyl-2-chloro-5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]benzenesulfonamide
IUPAC NAME: N-tert-butyl-2-chloro-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
SYSTEMATIC NAME: N-tert-butyl-2-chloranyl-5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide
MOLECULAR FORMULA: C22H27ClN2O5S
MOLECULAR WEIGHT: 466.97818
SMILES: CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)Cl
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Product OPENEYE NAME: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(trifluoromethyl)-1-pyrazolyl]ethanone
IUPAC NAME: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SYSTEMATIC NAME: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
MOLECULAR FORMULA: C17H18F3N3O3
MOLECULAR WEIGHT: 369.33833
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C=CC(=N3)C(F)(F)F)OC
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Product OPENEYE NAME: [2-(2-bromoanilino)-2-oxo-ethyl]-methyl-[(4-pyrazol-1-ylphenyl)methyl]ammonium
CAS Name: [2-(2-bromoanilino)-2-oxoethyl]-methyl-[[4-(1-pyrazolyl)phenyl]methyl]ammonium
IUPAC NAME: [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(4-pyrazol-1-ylphenyl)methyl]azanium
SYSTEMATIC NAME: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-pyrazol-1-ylphenyl)methyl]azanium
MOLECULAR FORMULA: C19H20BrN4O+
MOLECULAR WEIGHT: 400.2923
SMILES: C[NH+](CC1=CC=C(C=C1)N2C=CC=N2)CC(=O)NC3=CC=CC=C3Br
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Product OPENEYE NAME: N-(2-bromophenyl)-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetamide
CAS Name: N-(2-bromophenyl)-2-[methyl-[[4-(1-pyrazolyl)phenyl]methyl]amino]acetamide
IUPAC NAME: N-(2-bromophenyl)-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetamide
SYSTEMATIC NAME: N-(2-bromophenyl)-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]ethanamide
MOLECULAR FORMULA: C19H19BrN4O
MOLECULAR WEIGHT: 399.28436
SMILES: CN(CC1=CC=C(C=C1)N2C=CC=N2)CC(=O)NC3=CC=CC=C3Br
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Product OPENEYE NAME: 2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethoxy-phenoxy]-1-(1-piperidyl)ethanone
CAS Name: 2-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-2-ethoxyphenoxy]-1-(1-piperidinyl)ethanone
IUPAC NAME: 2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
SYSTEMATIC NAME: 2-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-2-ethoxy-phenoxy]-1-piperidin-1-yl-ethanone
MOLECULAR FORMULA: C27H34N2O6
MOLECULAR WEIGHT: 482.56866
SMILES: CCOC1=C(C=CC(=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)OCC(=O)N4CCCCC4
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Product OPENEYE NAME: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
IUPAC NAME: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
MOLECULAR FORMULA: C21H22N2O3S2
MOLECULAR WEIGHT: 414.54098
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)CSCC3=NC4=CC=CC=C4S3)OC
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Product OPENEYE NAME: [2-(2-bromoanilino)-2-oxo-ethyl]-[(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(2-bromoanilino)-2-oxoethyl]-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-methylammonium
IUPAC NAME: [2-(2-bromoanilino)-2-oxoethyl]-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-methylazanium
SYSTEMATIC NAME: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium
MOLECULAR FORMULA: C16H25BrN3O2+
MOLECULAR WEIGHT: 371.2926
SMILES: C[C@H](C(=O)NC(C)(C)C)[NH+](C)CC(=O)NC1=CC=CC=C1Br
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Product OPENEYE NAME: (2R)-2-[[2-(2-bromoanilino)-2-oxo-ethyl]-methyl-amino]-N-tert-butyl-propanamide
CAS Name: (2R)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-tert-butylpropanamide
IUPAC NAME: (2R)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-tert-butylpropanamide
SYSTEMATIC NAME: (2R)-2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-tert-butyl-propanamide
MOLECULAR FORMULA: C16H24BrN3O2
MOLECULAR WEIGHT: 370.28466
SMILES: C[C@H](C(=O)NC(C)(C)C)N(C)CC(=O)NC1=CC=CC=C1Br
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Product OPENEYE NAME: [2-(2-bromoanilino)-2-oxo-ethyl]-[(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(2-bromoanilino)-2-oxoethyl]-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-methylammonium
IUPAC NAME: [2-(2-bromoanilino)-2-oxoethyl]-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-methylazanium
SYSTEMATIC NAME: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium
MOLECULAR FORMULA: C16H25BrN3O2+
MOLECULAR WEIGHT: 371.2926
SMILES: C[C@@H](C(=O)NC(C)(C)C)[NH+](C)CC(=O)NC1=CC=CC=C1Br
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Product OPENEYE NAME: (2S)-2-[[2-(2-bromoanilino)-2-oxo-ethyl]-methyl-amino]-N-tert-butyl-propanamide
CAS Name: (2S)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-tert-butylpropanamide
IUPAC NAME: (2S)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-tert-butylpropanamide
SYSTEMATIC NAME: (2S)-2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-tert-butyl-propanamide
MOLECULAR FORMULA: C16H24BrN3O2
MOLECULAR WEIGHT: 370.28466
SMILES: C[C@@H](C(=O)NC(C)(C)C)N(C)CC(=O)NC1=CC=CC=C1Br
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Product OPENEYE NAME: 4,6,7-trimethoxy-N-(p-tolyl)-1H-indole-2-carboxamide
CAS Name: 4,6,7-trimethoxy-N-(4-methylphenyl)-1H-indole-2-carboxamide
IUPAC NAME: 4,6,7-trimethoxy-N-(4-methylphenyl)-1H-indole-2-carboxamide
SYSTEMATIC NAME: 4,6,7-trimethoxy-N-(4-methylphenyl)-1H-indole-2-carboxamide
MOLECULAR FORMULA: C19H20N2O4
MOLECULAR WEIGHT: 340.3731
SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC3=C(N2)C(=C(C=C3OC)OC)OC
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Product OPENEYE NAME: 4-methyl-2-(5-methyl-2-furyl)-N-(p-tolyl)thiazole-5-carboxamide
CAS Name: 4-methyl-2-(5-methyl-2-furanyl)-N-(4-methylphenyl)-5-thiazolecarboxamide
IUPAC NAME: 4-methyl-2-(5-methylfuran-2-yl)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: 4-methyl-2-(5-methylfuran-2-yl)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C17H16N2O2S
MOLECULAR WEIGHT: 312.38614
SMILES: CC1=CC=C(C=C1)NC(=O)C2=C(N=C(S2)C3=CC=C(O3)C)C
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Product OPENEYE NAME: 1-(3-nitrophenyl)-N-(p-tolyl)pyrazole-3-carboxamide
CAS Name: N-(4-methylphenyl)-1-(3-nitrophenyl)-3-pyrazolecarboxamide
IUPAC NAME: N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
SYSTEMATIC NAME: N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
MOLECULAR FORMULA: C17H14N4O3
MOLECULAR WEIGHT: 322.31806
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 4-(butylsulfonylamino)-N-(p-tolyl)benzamide
CAS Name: 4-(butylsulfonylamino)-N-(4-methylphenyl)benzamide
IUPAC NAME: 4-(butylsulfonylamino)-N-(4-methylphenyl)benzamide
SYSTEMATIC NAME: 4-(butylsulfonylamino)-N-(4-methylphenyl)benzamide
MOLECULAR FORMULA: C18H22N2O3S
MOLECULAR WEIGHT: 346.44388
SMILES: CCCCS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C
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Product OPENEYE NAME: [2-(2-bromoanilino)-2-oxo-ethyl]-methyl-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]ammonium
CAS Name: [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]ammonium
IUPAC NAME: [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium
SYSTEMATIC NAME: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl]azanium
MOLECULAR FORMULA: C15H23BrN3O2+
MOLECULAR WEIGHT: 357.26602
SMILES: CCCNC(=O)[C@@H](C)[NH+](C)CC(=O)NC1=CC=CC=C1Br
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Product OPENEYE NAME: (2R)-2-[[2-(2-bromoanilino)-2-oxo-ethyl]-methyl-amino]-N-propyl-propanamide
CAS Name: (2R)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-propylpropanamide
IUPAC NAME: (2R)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-propylpropanamide
SYSTEMATIC NAME: (2R)-2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-propyl-propanamide
MOLECULAR FORMULA: C15H22BrN3O2
MOLECULAR WEIGHT: 356.25808
SMILES: CCCNC(=O)[C@@H](C)N(C)CC(=O)NC1=CC=CC=C1Br
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Product OPENEYE NAME: N-(4-methoxyphenyl)-4-methyl-2-(5-methyl-2-furyl)thiazole-5-carboxamide
CAS Name: N-(4-methoxyphenyl)-4-methyl-2-(5-methyl-2-furanyl)-5-thiazolecarboxamide
IUPAC NAME: N-(4-methoxyphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C17H16N2O3S
MOLECULAR WEIGHT: 328.38554
SMILES: CC1=CC=C(O1)C2=NC(=C(S2)C(=O)NC3=CC=C(C=C3)OC)C
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Product OPENEYE NAME: [2-(2-bromoanilino)-2-oxo-ethyl]-methyl-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]ammonium
CAS Name: [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(propylamino)propan-2-yl]ammonium
IUPAC NAME: [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(propylamino)propan-2-yl]azanium
SYSTEMATIC NAME: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]azanium
MOLECULAR FORMULA: C15H23BrN3O2+
MOLECULAR WEIGHT: 357.26602
SMILES: CCCNC(=O)[C@H](C)[NH+](C)CC(=O)NC1=CC=CC=C1Br
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Product OPENEYE NAME: (2S)-2-[[2-(2-bromoanilino)-2-oxo-ethyl]-methyl-amino]-N-propyl-propanamide
CAS Name: (2S)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-propylpropanamide
IUPAC NAME: (2S)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-propylpropanamide
SYSTEMATIC NAME: (2S)-2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-propyl-propanamide
MOLECULAR FORMULA: C15H22BrN3O2
MOLECULAR WEIGHT: 356.25808
SMILES: CCCNC(=O)[C@H](C)N(C)CC(=O)NC1=CC=CC=C1Br
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Product OPENEYE NAME: N-(4-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CAS Name: N-(4-methoxyphenyl)-1-(3-nitrophenyl)-3-pyrazolecarboxamide
IUPAC NAME: N-(4-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
MOLECULAR FORMULA: C17H14N4O4
MOLECULAR WEIGHT: 338.31746
SMILES: COC1=CC=C(C=C1)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione
CAS Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
IUPAC NAME: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
SYSTEMATIC NAME: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C22H31N3O5
MOLECULAR WEIGHT: 417.49864
SMILES: CCCC1(C(=O)N(C(=O)N1)CC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)CCC
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Product OPENEYE NAME: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-naphthyloxymethyl)-2-furyl]methanone
CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-naphthalenyloxymethyl)-2-furanyl]methanone
IUPAC NAME: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
SYSTEMATIC NAME: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
MOLECULAR FORMULA: C27H25NO5
MOLECULAR WEIGHT: 443.4911
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(O3)COC4=CC5=CC=CC=C5C=C4)OC
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Product OPENEYE NAME: [2-(2-bromoanilino)-2-oxo-ethyl]-[(1R)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(2-bromoanilino)-2-oxoethyl]-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-methylammonium
IUPAC NAME: [2-(2-bromoanilino)-2-oxoethyl]-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-methylazanium
SYSTEMATIC NAME: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium
MOLECULAR FORMULA: C18H29BrN3O2+
MOLECULAR WEIGHT: 399.34576
SMILES: C[C@H](C(=O)N(C(C)C)C(C)C)[NH+](C)CC(=O)NC1=CC=CC=C1Br
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