Wednesday, February 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[8-(4-chloro-3-nitro-phenyl)sulfonyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CAS Name: 2-[8-(4-chloro-3-nitrophenyl)sulfonyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
IUPAC NAME: 2-[8-(4-chloro-3-nitrophenyl)sulfonyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SYSTEMATIC NAME: 2-[8-(4-chloranyl-3-nitro-phenyl)sulfonyl-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamide
MOLECULAR FORMULA: C29H27ClF3N5O6S
MOLECULAR WEIGHT: 666.06779
SMILES: C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CC(=O)NCC4=CC(=CC=C4)C(F)(F)F)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: N-[2-oxo-2-(thiazol-2-ylamino)ethyl]-4-pentyl-N-(tetrahydrofuran-2-ylmethyl)benzamide
CAS Name: N-(2-oxolanylmethyl)-N-[2-oxo-2-(2-thiazolylamino)ethyl]-4-pentylbenzamide
IUPAC NAME: N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-pentylbenzamide
SYSTEMATIC NAME: N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]-N-(oxolan-2-ylmethyl)-4-pentyl-benzamide
MOLECULAR FORMULA: C22H29N3O3S
MOLECULAR WEIGHT: 415.54896
SMILES: CCCCCC1=CC=C(C=C1)C(=O)N(CC2CCCO2)CC(=O)NC3=NC=CS3
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Product OPENEYE NAME: N-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-4-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CAS Name: N-[2-(3-isoxazolylamino)-2-oxoethyl]-4-methyl-N-[2-(1-pyrrolidinyl)ethyl]benzamide
IUPAC NAME: 4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SYSTEMATIC NAME: 4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
MOLECULAR FORMULA: C19H24N4O3
MOLECULAR WEIGHT: 356.41886
SMILES: CC1=CC=C(C=C1)C(=O)N(CCN2CCCC2)CC(=O)NC3=NOC=C3
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Product OPENEYE NAME: 6-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CAS Name: 6-[3-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
IUPAC NAME: 6-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
SYSTEMATIC NAME: 6-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
MOLECULAR FORMULA: C30H30N4O4S
MOLECULAR WEIGHT: 542.6486
SMILES: CC1=C(C(N2CCCSC2=N1)C3=CC(=CC=C3)NC(=O)C4=C(C=CC=C4OC)OC)C(=O)NC5=CC=CC=C5
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Product OPENEYE NAME: N-[2-(2-methoxyphenyl)ethyl]-2-(8-methylsulfonyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-2-yl)acetamide
CAS Name: N-[2-(2-methoxyphenyl)ethyl]-2-(8-methylsulfonyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-2-yl)acetamide
IUPAC NAME: N-[2-(2-methoxyphenyl)ethyl]-2-(8-methylsulfonyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-2-yl)acetamide
SYSTEMATIC NAME: N-[2-(2-methoxyphenyl)ethyl]-2-(8-methylsulfonyl-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decan-2-yl)ethanamide
MOLECULAR FORMULA: C25H32N4O5S
MOLECULAR WEIGHT: 500.61038
SMILES: COC1=CC=CC=C1CCNC(=O)CN2CN(C3(C2=O)CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4
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Product OPENEYE NAME: 5-(methylamino)-2-(phenoxymethyl)oxazole-4-carbonitrile
CAS Name: 5-(methylamino)-2-(phenoxymethyl)-4-oxazolecarbonitrile
IUPAC NAME: 5-(methylamino)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
SYSTEMATIC NAME: 5-(methylamino)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
MOLECULAR FORMULA: C12H11N3O2
MOLECULAR WEIGHT: 229.23464
SMILES: CNC1=C(N=C(O1)COC2=CC=CC=C2)C#N
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Product OPENEYE NAME: 5-chloro-2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-(p-tolylsulfonyl)thiazole
CAS Name: 5-chloro-2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-(4-methylphenyl)sulfonylthiazole
IUPAC NAME: 5-chloro-2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
SYSTEMATIC NAME: 5-chloranyl-2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
MOLECULAR FORMULA: C23H24ClN3O2S2
MOLECULAR WEIGHT: 474.03856
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)N3C4CCN(CC4C5=C3C=CC(=C5)C)C)Cl
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Product OPENEYE NAME: N-[4-[4-(thieno[3,2-b]benzothiophene-2-carbonylamino)phenoxy]phenyl]thieno[3,2-b]benzothiophene-2-carboxamide
CAS Name: N-[4-[4-[[oxo(2-thieno[3,2-b][1]benzothiolyl)methyl]amino]phenoxy]phenyl]-2-thieno[3,2-b][1]benzothiolecarboxamide
IUPAC NAME: N-[4-[4-(thieno[3,2-b][1]benzothiole-2-carbonylamino)phenoxy]phenyl]thieno[3,2-b][1]benzothiole-2-carboxamide
SYSTEMATIC NAME: N-[4-[4-(thieno[3,2-b][1]benzothiol-2-ylcarbonylamino)phenoxy]phenyl]thieno[3,2-b][1]benzothiole-2-carboxamide
MOLECULAR FORMULA: C34H20N2O3S4
MOLECULAR WEIGHT: 632.7942
SMILES: C1=CC=C2C(=C1)C3=C(S2)C=C(S3)C(=O)NC4=CC=C(C=C4)OC5=CC=C(C=C5)NC(=O)C6=CC7=C(S6)C8=CC=CC=C8S7
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Product OPENEYE NAME: N-[(4-bromophenyl)methyleneamino]-2-pyrrol-1-yl-benzamide
CAS Name: N-[(4-bromophenyl)methylideneamino]-2-(1-pyrrolyl)benzamide
IUPAC NAME: N-[(4-bromophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
SYSTEMATIC NAME: N-[(4-bromophenyl)methylideneamino]-2-pyrrol-1-yl-benzamide
MOLECULAR FORMULA: C18H14BrN3O
MOLECULAR WEIGHT: 368.22726
SMILES: C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)Br)N3C=CC=C3
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Product OPENEYE NAME: 6-(4-hydroxy-3,5-dimethyl-phenyl)-2,6a,9-triphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 6-(4-hydroxy-3,5-dimethylphenyl)-2,6a,9-triphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 6-(4-hydroxy-3,5-dimethylphenyl)-2,6a,9-triphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 6-(3,5-dimethyl-4-oxidanyl-phenyl)-2,6a,9-triphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C42H35NO5
MOLECULAR WEIGHT: 633.731
SMILES: CC1=CC(=CC(=C1O)C)C2C3=CCC4C(C3CC5C2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=CC=C8
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Product OPENEYE NAME: 2-(4-ethylphenyl)-6-(4-hydroxy-3,5-dimethyl-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 2-(4-ethylphenyl)-6-(4-hydroxy-3,5-dimethylphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 2-(4-ethylphenyl)-6-(4-hydroxy-3,5-dimethylphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 6-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(4-ethylphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C44H39NO5
MOLECULAR WEIGHT: 661.78416
SMILES: CCC1=CC=C(C=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)C(=CC(=O)C5(C4C6=CC(=C(C(=C6)C)O)C)C7=CC=CC=C7)C8=CC=CC=C8
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Product OPENEYE NAME: 6-(4-hydroxy-3,5-dimethyl-phenyl)-6a,9-diphenyl-2-(4-vinylphenyl)-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 2-(4-ethenylphenyl)-6-(4-hydroxy-3,5-dimethylphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 2-(4-ethenylphenyl)-6-(4-hydroxy-3,5-dimethylphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 6-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(4-ethenylphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C44H37NO5
MOLECULAR WEIGHT: 659.76828
SMILES: CC1=CC(=CC(=C1O)C)C2C3=CCC4C(C3CC5C2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)C=C
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Product OPENEYE NAME: ethyl 2-[[6-[(3-ethoxycarbonylbenzothiophen-2-yl)amino]-6-oxo-hexanoyl]amino]benzothiophene-3-carboxylate
CAS Name: 2-[[6-[(3-ethoxycarbonyl-1-benzothiophen-2-yl)amino]-1,6-dioxohexyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[6-[(3-ethoxycarbonyl-1-benzothiophen-2-yl)amino]-6-oxohexanoyl]amino]-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[6-[(3-ethoxycarbonyl-1-benzothiophen-2-yl)amino]-6-oxidanylidene-hexanoyl]amino]-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C28H28N2O6S2
MOLECULAR WEIGHT: 552.66172
SMILES: CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCCC(=O)NC3=C(C4=CC=CC=C4S3)C(=O)OCC
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Product OPENEYE NAME: [4-[2-[4-[3-(aminomethyl)phenyl]phenyl]-5-methyl-6-[[methyl-[2-(2-pyridyl)ethyl]amino]methyl]-1,3-dioxan-4-yl]phenyl]methanol
CAS Name: [4-[2-[4-[3-(aminomethyl)phenyl]phenyl]-5-methyl-6-[[methyl-[2-(2-pyridinyl)ethyl]amino]methyl]-1,3-dioxan-4-yl]phenyl]methanol
IUPAC NAME: [4-[2-[4-[3-(aminomethyl)phenyl]phenyl]-5-methyl-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1,3-dioxan-4-yl]phenyl]methanol
SYSTEMATIC NAME: [4-[2-[4-[3-(aminomethyl)phenyl]phenyl]-5-methyl-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1,3-dioxan-4-yl]phenyl]methanol
MOLECULAR FORMULA: C34H39N3O3
MOLECULAR WEIGHT: 537.69176
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CN)CN(C)CCC5=CC=CC=N5
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Product OPENEYE NAME: 2-[[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[3-[3-[[(2,2,2-trichloroacetyl)amino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
CAS Name: 2-[[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[3-[3-[[(2,2,2-trichloro-1-oxoethyl)amino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methylthio]benzoic acid
IUPAC NAME: 2-[[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[3-[3-[[(2,2,2-trichloroacetyl)amino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
SYSTEMATIC NAME: 2-[[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[3-[3-[[2,2,2-tris(chloranyl)ethanoylamino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
MOLECULAR FORMULA: C35H32Cl3NO6S
MOLECULAR WEIGHT: 701.05568
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)C(Cl)(Cl)Cl)CSC5=CC=CC=C5C(=O)O
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Product OPENEYE NAME: methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CAS Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid methyl ester
IUPAC NAME: methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
SYSTEMATIC NAME: methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
MOLECULAR FORMULA: C15H15NO2
MOLECULAR WEIGHT: 241.2851
SMILES: COC(=O)C1=C2CCCCC2=NC3=CC=CC=C31
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Product OPENEYE NAME: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-N-(4-nitrophenyl)methanimine
CAS Name: 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-N-(4-nitrophenyl)methanimine
IUPAC NAME: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-(4-nitrophenyl)methanimine
SYSTEMATIC NAME: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-(4-nitrophenyl)methanimine
MOLECULAR FORMULA: C20H19N3O2
MOLECULAR WEIGHT: 333.38376
SMILES: CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=C(C=C3)[N+](=O)[O-])C
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