Friday, November 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-(4-methoxy-3,5-dinitro-phenyl)sulfonylmorpholine
CAS Name: 4-(4-methoxy-3,5-dinitrophenyl)sulfonylmorpholine
IUPAC NAME: 4-(4-methoxy-3,5-dinitrophenyl)sulfonylmorpholine
SYSTEMATIC NAME: 4-(4-methoxy-3,5-dinitro-phenyl)sulfonylmorpholine
MOLECULAR FORMULA: C11H13N3O8S
MOLECULAR WEIGHT: 347.30122
SMILES: COC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCOCC2)[N+](=O)[O-]
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Product OPENEYE NAME: [(1-methyl-4-piperidylidene)amino] N-(4-chlorophenyl)carbamate
CAS Name: N-(4-chlorophenyl)carbamic acid [(1-methyl-4-piperidinylidene)amino] ester
IUPAC NAME: [(1-methylpiperidin-4-ylidene)amino] N-(4-chlorophenyl)carbamate
SYSTEMATIC NAME: [(1-methylpiperidin-4-ylidene)amino] N-(4-chlorophenyl)carbamate
MOLECULAR FORMULA: C13H16ClN3O2
MOLECULAR WEIGHT: 281.73804
SMILES: CN1CCC(=NOC(=O)NC2=CC=C(C=C2)Cl)CC1
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Product OPENEYE NAME: 1-[(2-nitrophenyl)methyl]-3-(o-tolyl)-7H-purine-2,6-dione
CAS Name: 3-(2-methylphenyl)-1-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione
IUPAC NAME: 3-(2-methylphenyl)-1-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(2-methylphenyl)-1-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione
MOLECULAR FORMULA: C19H15N5O4
MOLECULAR WEIGHT: 377.3535
SMILES: CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4[N+](=O)[O-])NC=N3
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Product OPENEYE NAME: 8-chloro-4-(4-phenylpiperazin-1-yl)-2-(trifluoromethyl)quinoline
CAS Name: 8-chloro-4-(4-phenyl-1-piperazinyl)-2-(trifluoromethyl)quinoline
IUPAC NAME: 8-chloro-4-(4-phenylpiperazin-1-yl)-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 8-chloranyl-4-(4-phenylpiperazin-1-yl)-2-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C20H17ClF3N3
MOLECULAR WEIGHT: 391.81729
SMILES: C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC4=C3C=CC=C4Cl)C(F)(F)F
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Product OPENEYE NAME: 8-chloro-N-phenyl-2-(trifluoromethyl)quinolin-4-amine
CAS Name: 8-chloro-N-phenyl-2-(trifluoromethyl)-4-quinolinamine
IUPAC NAME: 8-chloro-N-phenyl-2-(trifluoromethyl)quinolin-4-amine
SYSTEMATIC NAME: 8-chloranyl-N-phenyl-2-(trifluoromethyl)quinolin-4-amine
MOLECULAR FORMULA: C16H10ClF3N2
MOLECULAR WEIGHT: 322.71221
SMILES: C1=CC=C(C=C1)NC2=CC(=NC3=C2C=CC=C3Cl)C(F)(F)F
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Product OPENEYE NAME: 4-(4-benzhydrylpiperazin-1-yl)-8-chloro-2-(trifluoromethyl)quinoline
CAS Name: 8-chloro-4-[4-(diphenylmethyl)-1-piperazinyl]-2-(trifluoromethyl)quinoline
IUPAC NAME: 4-(4-benzhydrylpiperazin-1-yl)-8-chloro-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 8-chloranyl-4-[4-(diphenylmethyl)piperazin-1-yl]-2-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C27H23ClF3N3
MOLECULAR WEIGHT: 481.93983
SMILES: C1CN(CCN1C2=CC(=NC3=C2C=CC=C3Cl)C(F)(F)F)C(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 4-benzhydryl-1-[(5-bromo-2-thienyl)sulfonyl]piperidine
CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-(diphenylmethyl)piperidine
IUPAC NAME: 4-benzhydryl-1-(5-bromothiophen-2-yl)sulfonylpiperidine
SYSTEMATIC NAME: 1-(5-bromanylthiophen-2-yl)sulfonyl-4-(diphenylmethyl)piperidine
MOLECULAR FORMULA: C22H22BrNO2S2
MOLECULAR WEIGHT: 476.44958
SMILES: C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Br
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Product OPENEYE NAME: ethyl 1-[2-(trifluoromethyl)-4-quinolyl]piperidine-4-carboxylate
CAS Name: 1-[2-(trifluoromethyl)-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H19F3N2O2
MOLECULAR WEIGHT: 352.35087
SMILES: CCOC(=O)C1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C(F)(F)F
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Product OPENEYE NAME: ethyl 1-[6-bromo-2-(trifluoromethyl)-4-quinolyl]piperidine-4-carboxylate
CAS Name: 1-[6-bromo-2-(trifluoromethyl)-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[6-bromo-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[6-bromanyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H18BrF3N2O2
MOLECULAR WEIGHT: 431.24693
SMILES: CCOC(=O)C1CCN(CC1)C2=CC(=NC3=C2C=C(C=C3)Br)C(F)(F)F
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Product OPENEYE NAME: ethyl 1-(3-nitro-2-thienyl)piperidine-4-carboxylate
CAS Name: 1-(3-nitro-2-thiophenyl)-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(3-nitrothiophen-2-yl)piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(3-nitrothiophen-2-yl)piperidine-4-carboxylate
MOLECULAR FORMULA: C12H16N2O4S
MOLECULAR WEIGHT: 284.33144
SMILES: CCOC(=O)C1CCN(CC1)C2=C(C=CS2)[N+](=O)[O-]
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Product OPENEYE NAME: 4-benzhydryl-1-[(5-chloro-2-thienyl)sulfonyl]piperidine
CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-(diphenylmethyl)piperidine
IUPAC NAME: 4-benzhydryl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
SYSTEMATIC NAME: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-(diphenylmethyl)piperidine
MOLECULAR FORMULA: C22H22ClNO2S2
MOLECULAR WEIGHT: 431.99858
SMILES: C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Cl
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Product OPENEYE NAME: 4-benzhydryl-1-(2-thienylsulfonyl)piperidine
CAS Name: 4-(diphenylmethyl)-1-thiophen-2-ylsulfonylpiperidine
IUPAC NAME: 4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine
SYSTEMATIC NAME: 4-(diphenylmethyl)-1-thiophen-2-ylsulfonyl-piperidine
MOLECULAR FORMULA: C22H23NO2S2
MOLECULAR WEIGHT: 397.55352
SMILES: C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4
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Product OPENEYE NAME: ethyl 1-[8-chloro-2-(trifluoromethyl)-4-quinolyl]piperidine-4-carboxylate
CAS Name: 1-[8-chloro-2-(trifluoromethyl)-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[8-chloro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[8-chloranyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H18ClF3N2O2
MOLECULAR WEIGHT: 386.79593
SMILES: CCOC(=O)C1CCN(CC1)C2=CC(=NC3=C2C=CC=C3Cl)C(F)(F)F
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Product OPENEYE NAME: ethyl 4-(4-ethoxycarbonyl-1-piperidyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylate
CAS Name: 4-(4-ethoxycarbonyl-1-piperidinyl)-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-(4-ethoxycarbonylpiperidin-1-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: ethyl 4-(4-ethoxycarbonylpiperidin-1-yl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C19H26N4O4
MOLECULAR WEIGHT: 374.43414
SMILES: CCOC(=O)C1CCN(CC1)C2=C3C(=NN(C3=NC=C2C(=O)OCC)C)C
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Product OPENEYE NAME: 2-(4-benzhydryl-1-piperidyl)-5-(trifluoromethyl)pyridine
CAS Name: 2-[4-(diphenylmethyl)-1-piperidinyl]-5-(trifluoromethyl)pyridine
IUPAC NAME: 2-(4-benzhydrylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 2-[4-(diphenylmethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C24H23F3N2
MOLECULAR WEIGHT: 396.44803
SMILES: C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 2-(4-benzhydryl-1-piperidyl)-3-(trifluoromethyl)pyridine
CAS Name: 2-[4-(diphenylmethyl)-1-piperidinyl]-3-(trifluoromethyl)pyridine
IUPAC NAME: 2-(4-benzhydrylpiperidin-1-yl)-3-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 2-[4-(diphenylmethyl)piperidin-1-yl]-3-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C24H23F3N2
MOLECULAR WEIGHT: 396.44803
SMILES: C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=CC=N4)C(F)(F)F
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Product OPENEYE NAME: 2-(4-benzhydryl-1-piperidyl)-3-chloro-5-(trifluoromethyl)pyridine
CAS Name: 3-chloro-2-[4-(diphenylmethyl)-1-piperidinyl]-5-(trifluoromethyl)pyridine
IUPAC NAME: 2-(4-benzhydrylpiperidin-1-yl)-3-chloro-5-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 3-chloranyl-2-[4-(diphenylmethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C24H22ClF3N2
MOLECULAR WEIGHT: 430.89309
SMILES: C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=C(C=N4)C(F)(F)F)Cl
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Product OPENEYE NAME: [(1-methyl-4-piperidylidene)amino] N-[4-(trifluoromethoxy)phenyl]carbamate
CAS Name: N-[4-(trifluoromethoxy)phenyl]carbamic acid [(1-methyl-4-piperidinylidene)amino] ester
IUPAC NAME: [(1-methylpiperidin-4-ylidene)amino] N-[4-(trifluoromethoxy)phenyl]carbamate
SYSTEMATIC NAME: [(1-methylpiperidin-4-ylidene)amino] N-[4-(trifluoromethyloxy)phenyl]carbamate
MOLECULAR FORMULA: C14H16F3N3O3
MOLECULAR WEIGHT: 331.29035
SMILES: CN1CCC(=NOC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC1
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Product OPENEYE NAME: [(1-methyl-4-piperidylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate
CAS Name: N-[3-(trifluoromethyl)phenyl]carbamic acid [(1-methyl-4-piperidinylidene)amino] ester
IUPAC NAME: [(1-methylpiperidin-4-ylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate
SYSTEMATIC NAME: [(1-methylpiperidin-4-ylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate
MOLECULAR FORMULA: C14H16F3N3O2
MOLECULAR WEIGHT: 315.29095
SMILES: CN1CCC(=NOC(=O)NC2=CC=CC(=C2)C(F)(F)F)CC1
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Product OPENEYE NAME: 1-benzyl-4-[(5-chloro-2-thienyl)sulfonyl]piperazine
CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-(phenylmethyl)piperazine
IUPAC NAME: 1-benzyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
SYSTEMATIC NAME: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-(phenylmethyl)piperazine
MOLECULAR FORMULA: C15H17ClN2O2S2
MOLECULAR WEIGHT: 356.89068
SMILES: C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Cl
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Product OPENEYE NAME: 2-cyano-N-(o-tolylcarbamoyl)-N-propyl-acetamide
CAS Name: 2-cyano-N-[(2-methylanilino)-oxomethyl]-N-propylacetamide
IUPAC NAME: 2-cyano-N-[(2-methylphenyl)carbamoyl]-N-propylacetamide
SYSTEMATIC NAME: 2-cyano-N-[(2-methylphenyl)carbamoyl]-N-propyl-ethanamide
MOLECULAR FORMULA: C14H17N3O2
MOLECULAR WEIGHT: 259.30368
SMILES: CCCN(C(=O)CC#N)C(=O)NC1=CC=CC=C1C
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Product OPENEYE NAME: 1-(4-methoxyphenyl)-3-(3-oxo-1H-isobenzofuran-5-yl)thiourea
CAS Name: 1-(4-methoxyphenyl)-3-(3-oxo-1H-isobenzofuran-5-yl)thiourea
IUPAC NAME: 1-(4-methoxyphenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)thiourea
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-3-(3-oxidanylidene-1H-2-benzofuran-5-yl)thiourea
MOLECULAR FORMULA: C16H14N2O3S
MOLECULAR WEIGHT: 314.35896
SMILES: COC1=CC=C(C=C1)NC(=S)NC2=CC3=C(COC3=O)C=C2
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Product OPENEYE NAME: 6-amino-1-(o-tolyl)-3-propyl-pyrimidine-2,4-dione
CAS Name: 6-amino-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione
IUPAC NAME: 6-amino-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-(2-methylphenyl)-3-propyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H17N3O2
MOLECULAR WEIGHT: 259.30368
SMILES: CCCN1C(=O)C=C(N(C1=O)C2=CC=CC=C2C)N
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Product OPENEYE NAME: [(1-methyl-4-piperidylidene)amino] N-phenylcarbamate
CAS Name: N-phenylcarbamic acid [(1-methyl-4-piperidinylidene)amino] ester
IUPAC NAME: [(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate
SYSTEMATIC NAME: [(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate
MOLECULAR FORMULA: C13H17N3O2
MOLECULAR WEIGHT: 247.29298
SMILES: CN1CCC(=NOC(=O)NC2=CC=CC=C2)CC1
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