Monday, January 23, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-[[4-[3-(4-chlorophenoxy)propoxy]-3-iodo-5-methoxy-phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one
CAS Name: 4-[[4-[3-(4-chlorophenoxy)propoxy]-3-iodo-5-methoxyphenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone
IUPAC NAME: 4-[[4-[3-(4-chlorophenoxy)propoxy]-3-iodo-5-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
SYSTEMATIC NAME: 4-[[4-[3-(4-chloranylphenoxy)propoxy]-3-iodanyl-5-methoxy-phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C27H24ClIN2O4
MOLECULAR WEIGHT: 602.84793
SMILES: CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)I)OCCCOC3=CC=C(C=C3)Cl)OC)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[[3-bromo-5-methoxy-4-(3-phenoxypropoxy)phenyl]methylene]thiazolo[3,2-a]benzimidazol-1-one
CAS Name: 2-[[3-bromo-5-methoxy-4-(3-phenoxypropoxy)phenyl]methylidene]-1-thiazolo[3,2-a]benzimidazolone
IUPAC NAME: 2-[[3-bromo-5-methoxy-4-(3-phenoxypropoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SYSTEMATIC NAME: 2-[[3-bromanyl-5-methoxy-4-(3-phenoxypropoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MOLECULAR FORMULA: C26H21BrN2O4S
MOLECULAR WEIGHT: 537.42494
SMILES: COC1=C(C(=CC(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)Br)OCCCOC5=CC=CC=C5
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Product OPENEYE NAME: 2-(1,3-benzoxazol-2-ylsulfanyl)-1,3-bis(1-piperidyl)propane-1,3-dione
CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1,3-bis(1-piperidinyl)propane-1,3-dione
IUPAC NAME: 2-(1,3-benzoxazol-2-ylsulfanyl)-1,3-di(piperidin-1-yl)propane-1,3-dione
SYSTEMATIC NAME: 2-(1,3-benzoxazol-2-ylsulfanyl)-1,3-di(piperidin-1-yl)propane-1,3-dione
MOLECULAR FORMULA: C20H25N3O3S
MOLECULAR WEIGHT: 387.4958
SMILES: C1CCN(CC1)C(=O)C(C(=O)N2CCCCC2)SC3=NC4=CC=CC=C4O3
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Product OPENEYE NAME: 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)pyrimidine
CAS Name: 2-[(2-chlorophenyl)methylthio]-4-(4-methoxyphenyl)pyrimidine
IUPAC NAME: 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)pyrimidine
SYSTEMATIC NAME: 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)pyrimidine
MOLECULAR FORMULA: C18H15ClN2OS
MOLECULAR WEIGHT: 342.8425
SMILES: COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC3=CC=CC=C3Cl
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Product OPENEYE NAME: N-[3-methoxy-4-(3-oxobutanoylamino)phenyl]-3-oxo-butanamide
CAS Name: N-[4-(1,3-dioxobutylamino)-3-methoxyphenyl]-3-oxobutanamide
IUPAC NAME: N-[3-methoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
SYSTEMATIC NAME: N-[3-methoxy-4-(3-oxidanylidenebutanoylamino)phenyl]-3-oxidanylidene-butanamide
MOLECULAR FORMULA: C15H18N2O5
MOLECULAR WEIGHT: 306.31382
SMILES: CC(=O)CC(=O)NC1=CC(=C(C=C1)NC(=O)CC(=O)C)OC
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Product OPENEYE NAME: 4-(1,3-benzodioxol-5-ylmethyleneamino)-N-cyclohexyl-aniline
CAS Name: 4-(1,3-benzodioxol-5-ylmethylideneamino)-N-cyclohexylaniline
IUPAC NAME: 4-(1,3-benzodioxol-5-ylmethylideneamino)-N-cyclohexylaniline
SYSTEMATIC NAME: 4-(1,3-benzodioxol-5-ylmethylideneamino)-N-cyclohexyl-aniline
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: C1CCC(CC1)NC2=CC=C(C=C2)N=CC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: 5-(benzotriazol-1-ylmethylamino)-4-(cyanomethyl)-1-phenyl-pyrazole-3-carbonitrile
CAS Name: 5-(1-benzotriazolylmethylamino)-4-(cyanomethyl)-1-phenyl-3-pyrazolecarbonitrile
IUPAC NAME: 5-(benzotriazol-1-ylmethylamino)-4-(cyanomethyl)-1-phenylpyrazole-3-carbonitrile
SYSTEMATIC NAME: 5-(benzotriazol-1-ylmethylamino)-4-(cyanomethyl)-1-phenyl-pyrazole-3-carbonitrile
MOLECULAR FORMULA: C19H14N8
MOLECULAR WEIGHT: 354.36806
SMILES: C1=CC=C(C=C1)N2C(=C(C(=N2)C#N)CC#N)NCN3C4=CC=CC=C4N=N3
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Product OPENEYE NAME: N'-(cyclohexylmethyleneamino)-N-(4-fluorophenyl)oxamide
CAS Name: N'-(cyclohexylmethylideneamino)-N-(4-fluorophenyl)oxamide
IUPAC NAME: N'-(cyclohexylmethylideneamino)-N-(4-fluorophenyl)oxamide
SYSTEMATIC NAME: N'-(cyclohexylmethylideneamino)-N-(4-fluorophenyl)ethanediamide
MOLECULAR FORMULA: C15H18FN3O2
MOLECULAR WEIGHT: 291.320723
SMILES: C1CCC(CC1)C=NNC(=O)C(=O)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: N-[(4-cyanophenyl)methyleneamino]-4-(dimethylamino)benzamide
CAS Name: N-[(4-cyanophenyl)methylideneamino]-4-(dimethylamino)benzamide
IUPAC NAME: N-[(4-cyanophenyl)methylideneamino]-4-(dimethylamino)benzamide
SYSTEMATIC NAME: N-[(4-cyanophenyl)methylideneamino]-4-(dimethylamino)benzamide
MOLECULAR FORMULA: C17H16N4O
MOLECULAR WEIGHT: 292.33514
SMILES: CN(C)C1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)C#N
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Product OPENEYE NAME: 5-[2-(4-thioxo-1,3,5-triazinan-1-yl)ethyl]-1,3,5-triazinane-2-thione
CAS Name: 5-[2-(4-sulfanylidene-1,3,5-triazinan-1-yl)ethyl]-1,3,5-triazinane-2-thione
IUPAC NAME: 5-[2-(4-sulfanylidene-1,3,5-triazinan-1-yl)ethyl]-1,3,5-triazinane-2-thione
SYSTEMATIC NAME: 5-[2-(4-sulfanylidene-1,3,5-triazinan-1-yl)ethyl]-1,3,5-triazinane-2-thione
MOLECULAR FORMULA: C8H16N6S2
MOLECULAR WEIGHT: 260.38284
SMILES: C1NC(=S)NCN1CCN2CNC(=S)NC2
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Product OPENEYE NAME: ethyl 2-[(3,4-difluorobenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS Name: 2-[[[[(3,4-difluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[(3,4-difluorobenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[3,4-bis(fluoranyl)phenyl]carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C20H20F2N2O3S2
MOLECULAR WEIGHT: 438.511206
SMILES: CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)F)F
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Product OPENEYE NAME: N-[(3-bromo-4-fluoro-phenyl)methyleneamino]-2-hydroxy-2,2-diphenyl-acetamide
CAS Name: N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
IUPAC NAME: N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SYSTEMATIC NAME: N-[(3-bromanyl-4-fluoranyl-phenyl)methylideneamino]-2-oxidanyl-2,2-diphenyl-ethanamide
MOLECULAR FORMULA: C21H16BrFN2O2
MOLECULAR WEIGHT: 427.266343
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN=CC3=CC(=C(C=C3)F)Br)O
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Product OPENEYE NAME: 2,6-bis[(4-bromophenyl)methylene]-4-tert-butyl-cyclohexanone
CAS Name: 2,6-bis[(4-bromophenyl)methylidene]-4-tert-butyl-1-cyclohexanone
IUPAC NAME: 2,6-bis[(4-bromophenyl)methylidene]-4-tert-butylcyclohexan-1-one
SYSTEMATIC NAME: 2,6-bis[(4-bromophenyl)methylidene]-4-tert-butyl-cyclohexan-1-one
MOLECULAR FORMULA: C24H24Br2O
MOLECULAR WEIGHT: 488.25476
SMILES: CC(C)(C)C1CC(=CC2=CC=C(C=C2)Br)C(=O)C(=CC3=CC=C(C=C3)Br)C1
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Product OPENEYE NAME: 2-[N-(benzenesulfonyl)-4-ethoxy-anilino]-N-(4-ethoxyphenyl)acetamide
CAS Name: 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-ethoxyphenyl)acetamide
IUPAC NAME: 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-ethoxyphenyl)acetamide
SYSTEMATIC NAME: N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)-(phenylsulfonyl)amino]ethanamide
MOLECULAR FORMULA: C24H26N2O5S
MOLECULAR WEIGHT: 454.53864
SMILES: CCOC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OCC)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
CAS Name: 1-cyclohexyl-4-[[cyclopropyl(oxo)methyl]amino]-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 1-cyclohexyl-4-(cyclopropylcarbonylamino)-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate
MOLECULAR FORMULA: C19H25F3N2O4
MOLECULAR WEIGHT: 402.40801
SMILES: CCOC(=O)C1=C(N(C(=O)C1(C(F)(F)F)NC(=O)C2CC2)C3CCCCC3)C
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Product OPENEYE NAME: N2-[1-(4-nitrophenyl)ethylideneamino]-N4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CAS Name: N2-[1-(4-nitrophenyl)ethylideneamino]-N4-phenyl-6-(1-pyrrolidinyl)-1,3,5-triazine-2,4-diamine
IUPAC NAME: 2-N-[1-(4-nitrophenyl)ethylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2-[1-(4-nitrophenyl)ethylideneamino]-N4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C21H22N8O2
MOLECULAR WEIGHT: 418.45178
SMILES: CC(=NNC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCCC3)C4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(3-bromophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
CAS Name: 2-(3-bromophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
IUPAC NAME: 2-(3-bromophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
SYSTEMATIC NAME: 2-(3-bromophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
MOLECULAR FORMULA: C20H15BrN2O3
MOLECULAR WEIGHT: 411.2487
SMILES: C1=CC(=CC(=C1)Br)N2C(=O)C3=C4C(=C(C=C3)NCCO)C=CC=C4C2=O
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Product OPENEYE NAME: N2-[[5-(4-iodophenyl)-2-furyl]methyleneamino]-N4-(4-nitrophenyl)-N6-phenyl-1,3,5-triazine-2,4,6-triamine
CAS Name: N2-[[5-(4-iodophenyl)-2-furanyl]methylideneamino]-N4-(4-nitrophenyl)-N6-phenyl-1,3,5-triazine-2,4,6-triamine
IUPAC NAME: 2-N-[[5-(4-iodophenyl)furan-2-yl]methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: N2-[[5-(4-iodophenyl)furan-2-yl]methylideneamino]-N4-(4-nitrophenyl)-N6-phenyl-1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C26H19IN8O3
MOLECULAR WEIGHT: 618.38533
SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)NN=CC3=CC=C(O3)C4=CC=C(C=C4)I)NC5=CC=C(C=C5)[N+](=O)[O-]
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Product OPENEYE NAME: 2-ethylhexyl N-(4-iodophenyl)carbamate
CAS Name: N-(4-iodophenyl)carbamic acid 2-ethylhexyl ester
IUPAC NAME: 2-ethylhexyl N-(4-iodophenyl)carbamate
SYSTEMATIC NAME: 2-ethylhexyl N-(4-iodophenyl)carbamate
MOLECULAR FORMULA: C15H22INO2
MOLECULAR WEIGHT: 375.24515
SMILES: CCCCC(CC)COC(=O)NC1=CC=C(C=C1)I
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Product OPENEYE NAME: N-[(4-allyloxyphenyl)methyleneamino]-2-(2,6-dibromo-4-methoxy-phenoxy)acetamide
CAS Name: 2-(2,6-dibromo-4-methoxyphenoxy)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide
IUPAC NAME: 2-(2,6-dibromo-4-methoxyphenoxy)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-[2,6-bis(bromanyl)-4-methoxy-phenoxy]-N-[(4-prop-2-enoxyphenyl)methylideneamino]ethanamide
MOLECULAR FORMULA: C19H18Br2N2O4
MOLECULAR WEIGHT: 498.16522
SMILES: COC1=CC(=C(C(=C1)Br)OCC(=O)NN=CC2=CC=C(C=C2)OCC=C)Br
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Product OPENEYE NAME: 1-(2-cyclohexylethyl)-4-[(3,4-dichlorophenyl)methyl]tetrazol-5-imine
CAS Name: 1-(2-cyclohexylethyl)-4-[(3,4-dichlorophenyl)methyl]-5-tetrazolimine
IUPAC NAME: 1-(2-cyclohexylethyl)-4-[(3,4-dichlorophenyl)methyl]tetrazol-5-imine
SYSTEMATIC NAME: 1-(2-cyclohexylethyl)-4-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrazol-5-imine
MOLECULAR FORMULA: C16H21Cl2N5
MOLECULAR WEIGHT: 354.27744
SMILES: C1CCC(CC1)CCN2C(=N)N(N=N2)CC3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 7-methyl-6-nitro-2,4-bis(trichloromethyl)-4H-1,3-benzodioxine
CAS Name: 7-methyl-6-nitro-2,4-bis(trichloromethyl)-4H-1,3-benzodioxin
IUPAC NAME: 7-methyl-6-nitro-2,4-bis(trichloromethyl)-4H-1,3-benzodioxine
SYSTEMATIC NAME: 7-methyl-6-nitro-2,4-bis(trichloromethyl)-4H-1,3-benzodioxine
MOLECULAR FORMULA: C11H7Cl6NO4
MOLECULAR WEIGHT: 429.89558
SMILES: CC1=C(C=C2C(OC(OC2=C1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 2-hydroxy-N-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]benzamide
CAS Name: 2-hydroxy-N-[[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylideneamino]benzamide
IUPAC NAME: 2-hydroxy-N-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
SYSTEMATIC NAME: 2-oxidanyl-N-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
MOLECULAR FORMULA: C26H24N4O3
MOLECULAR WEIGHT: 440.49376
SMILES: CCCOC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=CC=C3O)C4=CC=CC=C4
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