Monday, May 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CAS Name: N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
IUPAC NAME: N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SYSTEMATIC NAME: N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]ethanamide
MOLECULAR FORMULA: C20H23N3O5S
MOLECULAR WEIGHT: 417.47872
SMILES: CN(C)S(=O)(=O)C1=CC=CC=C1CNC(=O)COC2=CC3=C(C=C2)NC(=O)CC3
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Product OPENEYE NAME: N-[1-(furan-2-carbonyl)-4-piperidyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CAS Name: N-[1-[2-furanyl(oxo)methyl]-4-piperidinyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
IUPAC NAME: N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SYSTEMATIC NAME: N-[1-(furan-2-ylcarbonyl)piperidin-4-yl]-2-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]ethanamide
MOLECULAR FORMULA: C21H23N3O5
MOLECULAR WEIGHT: 397.42442
SMILES: C1CN(CCC1NC(=O)COC2=CC3=C(C=C2)NC(=O)CC3)C(=O)C4=CC=CO4
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Product OPENEYE NAME: (E)-3-(4-acetamidophenyl)-N-methyl-N-(2-naphthylmethyl)prop-2-enamide
CAS Name: (E)-3-(4-acetamidophenyl)-N-methyl-N-(2-naphthalenylmethyl)-2-propenamide
IUPAC NAME: (E)-3-(4-acetamidophenyl)-N-methyl-N-(naphthalen-2-ylmethyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(4-acetamidophenyl)-N-methyl-N-(naphthalen-2-ylmethyl)prop-2-enamide
MOLECULAR FORMULA: C23H22N2O2
MOLECULAR WEIGHT: 358.43298
SMILES: CC(=O)NC1=CC=C(C=C1)/C=C/C(=O)N(C)CC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: 1-isobutyl-N-(4-morpholinosulfonyl-2-nitro-phenyl)piperidin-1-ium-4-amine
CAS Name: 1-(2-methylpropyl)-N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidin-1-iumamine
IUPAC NAME: 1-(2-methylpropyl)-N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidin-1-ium-4-amine
SYSTEMATIC NAME: 1-(2-methylpropyl)-N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidin-1-ium-4-amine
MOLECULAR FORMULA: C19H31N4O5S+
MOLECULAR WEIGHT: 427.53824
SMILES: CC(C)C[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-isobutyl-N-(4-morpholinosulfonyl-2-nitro-phenyl)piperidin-4-amine
CAS Name: 1-(2-methylpropyl)-N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinamine
IUPAC NAME: 1-(2-methylpropyl)-N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidin-4-amine
SYSTEMATIC NAME: 1-(2-methylpropyl)-N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidin-4-amine
MOLECULAR FORMULA: C19H30N4O5S
MOLECULAR WEIGHT: 426.5303
SMILES: CC(C)CN1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]
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Product OPENEYE NAME: [4-[(1-isobutylpiperidin-1-ium-4-yl)amino]-3-nitro-phenyl]-phenyl-methanone
CAS Name: [4-[[1-(2-methylpropyl)-4-piperidin-1-iumyl]amino]-3-nitrophenyl]-phenylmethanone
IUPAC NAME: [4-[[1-(2-methylpropyl)piperidin-1-ium-4-yl]amino]-3-nitrophenyl]-phenylmethanone
SYSTEMATIC NAME: [4-[[1-(2-methylpropyl)piperidin-1-ium-4-yl]amino]-3-nitro-phenyl]-phenyl-methanone
MOLECULAR FORMULA: C22H28N3O3+
MOLECULAR WEIGHT: 382.47602
SMILES: CC(C)C[NH+]1CCC(CC1)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [4-[(1-isobutyl-4-piperidyl)amino]-3-nitro-phenyl]-phenyl-methanone
CAS Name: [4-[[1-(2-methylpropyl)-4-piperidinyl]amino]-3-nitrophenyl]-phenylmethanone
IUPAC NAME: [4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-3-nitrophenyl]-phenylmethanone
SYSTEMATIC NAME: [4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-3-nitro-phenyl]-phenyl-methanone
MOLECULAR FORMULA: C22H27N3O3
MOLECULAR WEIGHT: 381.46808
SMILES: CC(C)CN1CCC(CC1)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-(1-isobutylpiperidin-1-ium-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CAS Name: N-[1-(2-methylpropyl)-4-piperidin-1-iumyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
IUPAC NAME: N-[1-(2-methylpropyl)piperidin-1-ium-4-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SYSTEMATIC NAME: N-[1-(2-methylpropyl)piperidin-1-ium-4-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
MOLECULAR FORMULA: C15H22F3N6+
MOLECULAR WEIGHT: 343.37059
SMILES: CC(C)C[NH+]1CCC(CC1)NC2=NN3C(=NN=C3C(F)(F)F)C=C2
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Product OPENEYE NAME: N-(1-isobutyl-4-piperidyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CAS Name: N-[1-(2-methylpropyl)-4-piperidinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
IUPAC NAME: N-[1-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SYSTEMATIC NAME: N-[1-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
MOLECULAR FORMULA: C15H21F3N6
MOLECULAR WEIGHT: 342.36265
SMILES: CC(C)CN1CCC(CC1)NC2=NN3C(=NN=C3C(F)(F)F)C=C2
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Product OPENEYE NAME: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CAS Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(4-morpholinyl)ethyl]-6-tetrazolo[1,5-b]pyridazinamine
IUPAC NAME: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
SYSTEMATIC NAME: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]-[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-amine
MOLECULAR FORMULA: C18H23N7O3
MOLECULAR WEIGHT: 385.42032
SMILES: COC1=C(C=C(C=C1)[C@@H](CNC2=NN3C(=NN=N3)C=C2)N4CCOCC4)OC
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Product OPENEYE NAME: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CAS Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-(4-morpholinyl)ethyl]-6-tetrazolo[1,5-b]pyridazinamine
IUPAC NAME: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
SYSTEMATIC NAME: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]-[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-amine
MOLECULAR FORMULA: C18H23N7O3
MOLECULAR WEIGHT: 385.42032
SMILES: COC1=C(C=C(C=C1)[C@H](CNC2=NN3C(=NN=N3)C=C2)N4CCOCC4)OC
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Product OPENEYE NAME: N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-amine
CAS Name: N-[(6-chloro-2-imidazo[1,2-a]pyridinyl)methyl]-5-phenyl-4-thieno[2,3-d]pyrimidinamine
IUPAC NAME: N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-[(6-chloranylimidazo[1,2-a]pyridin-2-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C20H14ClN5S
MOLECULAR WEIGHT: 391.87666
SMILES: C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCC4=CN5C=C(C=CC5=N4)Cl
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Product OPENEYE NAME: N-[(5-chloro-2-thienyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-ethyl-benzamide
CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-3-[(2,5-dioxo-1-imidazolidinyl)methyl]-N-ethylbenzamide
IUPAC NAME: N-[(5-chlorothiophen-2-yl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-ethylbenzamide
SYSTEMATIC NAME: 3-[[2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]-N-[(5-chloranylthiophen-2-yl)methyl]-N-ethyl-benzamide
MOLECULAR FORMULA: C18H18ClN3O3S
MOLECULAR WEIGHT: 391.87182
SMILES: CCN(CC1=CC=C(S1)Cl)C(=O)C2=CC(=CC=C2)CN3C(=O)CNC3=O
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Product OPENEYE NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzoxazol-2-amine
CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzoxazol-2-amine
IUPAC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzoxazol-2-amine
SYSTEMATIC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzoxazol-2-amine
MOLECULAR FORMULA: C17H18N2O3
MOLECULAR WEIGHT: 298.33642
SMILES: COC1=C(C=C(C=C1)CCNC2=NC3=CC=CC=C3O2)OC
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Product OPENEYE NAME: 4-methyl-2-(5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl)sulfanyl-thiazole
CAS Name: 4-methyl-2-[(5,6,7-trimethyl-4-pyrrolo[3,4-d]pyridazinyl)thio]thiazole
IUPAC NAME: 4-methyl-2-(5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl)sulfanyl-1,3-thiazole
SYSTEMATIC NAME: 4-methyl-2-(5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl)sulfanyl-1,3-thiazole
MOLECULAR FORMULA: C13H14N4S2
MOLECULAR WEIGHT: 290.40706
SMILES: CC1=CSC(=N1)SC2=NN=CC3=C(N(C(=C32)C)C)C
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Product OPENEYE NAME: 1,3-benzoxazol-2-yl-[2-(diethylamino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: 1,3-benzoxazol-2-yl-[2-(diethylamino)-2-oxoethyl]-methylammonium
IUPAC NAME: 1,3-benzoxazol-2-yl-[2-(diethylamino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: 1,3-benzoxazol-2-yl-[2-(diethylamino)-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C14H20N3O2+
MOLECULAR WEIGHT: 262.3275
SMILES: CCN(CC)C(=O)C[NH+](C)C1=NC2=CC=CC=C2O1
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Product OPENEYE NAME: 2-[1,3-benzoxazol-2-yl(methyl)amino]-N,N-diethyl-acetamide
CAS Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-N,N-diethylacetamide
IUPAC NAME: 2-[1,3-benzoxazol-2-yl(methyl)amino]-N,N-diethylacetamide
SYSTEMATIC NAME: 2-[1,3-benzoxazol-2-yl(methyl)amino]-N,N-diethyl-ethanamide
MOLECULAR FORMULA: C14H19N3O2
MOLECULAR WEIGHT: 261.31956
SMILES: CCN(CC)C(=O)CN(C)C1=NC2=CC=CC=C2O1
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Product OPENEYE NAME: 2-[4-(2-furylmethyl)piperazin-1-yl]-1,3-benzoxazole
CAS Name: 2-[4-(2-furanylmethyl)-1-piperazinyl]-1,3-benzoxazole
IUPAC NAME: 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1,3-benzoxazole
SYSTEMATIC NAME: 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1,3-benzoxazole
MOLECULAR FORMULA: C16H17N3O2
MOLECULAR WEIGHT: 283.32508
SMILES: C1CN(CCN1CC2=CC=CO2)C3=NC4=CC=CC=C4O3
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Product OPENEYE NAME: 4-chloro-5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-2-methyl-pyridazin-3-one
CAS Name: 4-chloro-5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-2-methyl-3-pyridazinone
IUPAC NAME: 4-chloro-5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-2-methylpyridazin-3-one
SYSTEMATIC NAME: 4-chloranyl-5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-2-methyl-pyridazin-3-one
MOLECULAR FORMULA: C19H22ClN3O3
MOLECULAR WEIGHT: 375.84928
SMILES: CN1C(=O)C(=C(C=N1)NCC2(CCCC2)C3=CC4=C(C=C3)OCCO4)Cl
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Product OPENEYE NAME: N-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]thiophene-2-sulfonamide
CAS Name: N-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-2-thiophenesulfonamide
IUPAC NAME: N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide
SYSTEMATIC NAME: N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide
MOLECULAR FORMULA: C16H17N3O3S2
MOLECULAR WEIGHT: 363.45448
SMILES: C1CN(CCC1NS(=O)(=O)C2=CC=CS2)C3=NC4=CC=CC=C4O3
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Product OPENEYE NAME: 2,2-dimethyl-N-[4-[methyl-[(1R)-tetralin-1-yl]amino]-4-oxo-butyl]propanamide
CAS Name: 2,2-dimethyl-N-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-oxobutyl]propanamide
IUPAC NAME: 2,2-dimethyl-N-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-oxobutyl]propanamide
SYSTEMATIC NAME: 2,2-dimethyl-N-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-oxidanylidene-butyl]propanamide
MOLECULAR FORMULA: C20H30N2O2
MOLECULAR WEIGHT: 330.4644
SMILES: CC(C)(C)C(=O)NCCCC(=O)N(C)[C@@H]1CCCC2=CC=CC=C12
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Product OPENEYE NAME: 2,2-dimethyl-N-[4-[methyl-[(1S)-tetralin-1-yl]amino]-4-oxo-butyl]propanamide
CAS Name: 2,2-dimethyl-N-[4-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-oxobutyl]propanamide
IUPAC NAME: 2,2-dimethyl-N-[4-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-oxobutyl]propanamide
SYSTEMATIC NAME: 2,2-dimethyl-N-[4-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-oxidanylidene-butyl]propanamide
MOLECULAR FORMULA: C20H30N2O2
MOLECULAR WEIGHT: 330.4644
SMILES: CC(C)(C)C(=O)NCCCC(=O)N(C)[C@H]1CCCC2=CC=CC=C12
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Product OPENEYE NAME: N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethylsulfanyl)acetamide
CAS Name: N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethylthio)acetamide
IUPAC NAME: N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethylsulfanyl)acetamide
SYSTEMATIC NAME: N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethylsulfanyl)ethanamide
MOLECULAR FORMULA: C20H26N2O3S2
MOLECULAR WEIGHT: 406.56204
SMILES: CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)NC(=O)CSCCC2=CC=CC=C2
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Product OPENEYE NAME: 4-(3,4-dimethoxyphenyl)-4-oxo-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CAS Name: 4-(3,4-dimethoxyphenyl)-4-oxo-N-(1,3,5-trimethyl-4-pyrazolyl)butanamide
IUPAC NAME: 4-(3,4-dimethoxyphenyl)-4-oxo-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
SYSTEMATIC NAME: 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
MOLECULAR FORMULA: C18H23N3O4
MOLECULAR WEIGHT: 345.39292
SMILES: CC1=C(C(=NN1C)C)NC(=O)CCC(=O)C2=CC(=C(C=C2)OC)OC
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