Saturday, February 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
IUPAC NAME: 3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SYSTEMATIC NAME: 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
MOLECULAR FORMULA: C20H16N4O5
MOLECULAR WEIGHT: 392.36484
SMILES: COC1=CC=CC=C1C2=NN=C(O2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O
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Product OPENEYE NAME: 2-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
CAS Name: 2-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-quinolinecarboxamide
IUPAC NAME: 2-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
SYSTEMATIC NAME: 2-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
MOLECULAR FORMULA: C24H16N4O2
MOLECULAR WEIGHT: 392.40944
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN=C(O4)C5=CC=CC=C5
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Product OPENEYE NAME: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide
CAS Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide
IUPAC NAME: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide
SYSTEMATIC NAME: N-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide
MOLECULAR FORMULA: C14H13ClN2OS
MOLECULAR WEIGHT: 292.78382
SMILES: CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)Cl)CC#C
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Product OPENEYE NAME: 4-oxo-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)chromene-2-carboxamide
CAS Name: 4-oxo-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzopyran-2-carboxamide
IUPAC NAME: 4-oxo-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)chromene-2-carboxamide
SYSTEMATIC NAME: 4-oxidanylidene-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)chromene-2-carboxamide
MOLECULAR FORMULA: C20H13N3O5S2
MOLECULAR WEIGHT: 439.46432
SMILES: C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=O)C4=CC=CC=C4O3
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Product OPENEYE NAME: methyl 2-[6-methyl-2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-methyl-2-[(2-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[6-methyl-2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[6-methyl-2-(2-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C19H18N2O3S
MOLECULAR WEIGHT: 354.42282
SMILES: CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3C)S2)CC(=O)OC
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Product OPENEYE NAME: methyl 2-[6-bromo-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-bromo-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[6-bromo-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[6-bromanyl-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C18H12BrF3N2O3S
MOLECULAR WEIGHT: 473.26369
SMILES: COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: methyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[2-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C15H15N3O7S2
MOLECULAR WEIGHT: 413.4255
SMILES: COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=COCCO3
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Product OPENEYE NAME: ethyl 3-(2-ethoxy-2-oxo-ethyl)-2-[4-[(3-methyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazole-6-carboxylate
CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-(2-ethoxy-2-oxoethyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C27H31N3O7S2
MOLECULAR WEIGHT: 573.68094
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C
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Product OPENEYE NAME: [3-amino-5-[4-(difluoromethoxy)anilino]-4-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-2-thienyl]-(4-fluorophenyl)methanone
CAS Name: [3-amino-5-[4-(difluoromethoxy)anilino]-4-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-thiophenyl]-(4-fluorophenyl)methanone
IUPAC NAME: [3-amino-5-[4-(difluoromethoxy)anilino]-4-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)thiophen-2-yl]-(4-fluorophenyl)methanone
SYSTEMATIC NAME: [3-azanyl-5-[[4-[bis(fluoranyl)methoxy]phenyl]amino]-4-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)thiophen-2-yl]-(4-fluorophenyl)methanone
MOLECULAR FORMULA: C30H25F3N6O3S
MOLECULAR WEIGHT: 606.61811
SMILES: C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C4=C(SC(=C4N)C(=O)C5=CC=C(C=C5)F)NC6=CC=C(C=C6)OC(F)F
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Product OPENEYE NAME: [3-amino-5-[4-(difluoromethoxy)anilino]-4-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-2-thienyl]-(4-chloro-3-nitro-phenyl)methanone
CAS Name: [3-amino-5-[4-(difluoromethoxy)anilino]-4-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-thiophenyl]-(4-chloro-3-nitrophenyl)methanone
IUPAC NAME: [3-amino-5-[4-(difluoromethoxy)anilino]-4-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)thiophen-2-yl]-(4-chloro-3-nitrophenyl)methanone
SYSTEMATIC NAME: [3-azanyl-5-[[4-[bis(fluoranyl)methoxy]phenyl]amino]-4-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)thiophen-2-yl]-(4-chloranyl-3-nitro-phenyl)methanone
MOLECULAR FORMULA: C30H24ClF2N7O5S
MOLECULAR WEIGHT: 668.070266
SMILES: C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C4=C(SC(=C4N)C(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])NC6=CC=C(C=C6)OC(F)F
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Product OPENEYE NAME: 2-(4-oxo-1,3-benzothiazin-2-yl)-2-(2-pyridyl)acetonitrile
CAS Name: 2-(4-oxo-1,3-benzothiazin-2-yl)-2-(2-pyridinyl)acetonitrile
IUPAC NAME: 2-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridin-2-ylacetonitrile
SYSTEMATIC NAME: 2-(4-oxidanylidene-1,3-benzothiazin-2-yl)-2-pyridin-2-yl-ethanenitrile
MOLECULAR FORMULA: C15H9N3OS
MOLECULAR WEIGHT: 279.31646
SMILES: C1=CC=C2C(=C1)C(=O)N=C(S2)C(C#N)C3=CC=CC=N3
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Product OPENEYE NAME: 1-butyl-3-(2,4-dichlorophenyl)-1-methyl-urea
CAS Name: 1-butyl-3-(2,4-dichlorophenyl)-1-methylurea
IUPAC NAME: 1-butyl-3-(2,4-dichlorophenyl)-1-methylurea
SYSTEMATIC NAME: 1-butyl-3-(2,4-dichlorophenyl)-1-methyl-urea
MOLECULAR FORMULA: C12H16Cl2N2O
MOLECULAR WEIGHT: 275.17424
SMILES: CCCCN(C)C(=O)NC1=C(C=C(C=C1)Cl)Cl
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Product OPENEYE NAME: 2-(3-chlorophenyl)-3-(1-naphthyl)prop-2-enenitrile
CAS Name: 2-(3-chlorophenyl)-3-(1-naphthalenyl)-2-propenenitrile
IUPAC NAME: 2-(3-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile
SYSTEMATIC NAME: 2-(3-chlorophenyl)-3-naphthalen-1-yl-prop-2-enenitrile
MOLECULAR FORMULA: C19H12ClN
MOLECULAR WEIGHT: 289.75828
SMILES: C1=CC=C2C(=C1)C=CC=C2C=C(C#N)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: (2-bromo-4-chloro-6-methyl-phenyl) N-methylcarbamate
CAS Name: N-methylcarbamic acid (2-bromo-4-chloro-6-methylphenyl) ester
IUPAC NAME: (2-bromo-4-chloro-6-methylphenyl) N-methylcarbamate
SYSTEMATIC NAME: (2-bromanyl-4-chloranyl-6-methyl-phenyl) N-methylcarbamate
MOLECULAR FORMULA: C9H9BrClNO2
MOLECULAR WEIGHT: 278.53026
SMILES: CC1=CC(=CC(=C1OC(=O)NC)Br)Cl
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Product OPENEYE NAME: 2,5-dichloro-3,6-bis(3-methylanilino)-1,4-benzoquinone
CAS Name: 2,5-dichloro-3,6-bis(3-methylanilino)cyclohexa-2,5-diene-1,4-dione
IUPAC NAME: 2,5-dichloro-3,6-bis(3-methylanilino)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(chloranyl)-3,6-bis[(3-methylphenyl)amino]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C20H16Cl2N2O2
MOLECULAR WEIGHT: 387.25924
SMILES: CC1=CC(=CC=C1)NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C)Cl
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Product OPENEYE NAME: (3-methoxyphenyl) N-(2,4-difluorophenyl)carbamate
CAS Name: N-(2,4-difluorophenyl)carbamic acid (3-methoxyphenyl) ester
IUPAC NAME: (3-methoxyphenyl) N-(2,4-difluorophenyl)carbamate
SYSTEMATIC NAME: (3-methoxyphenyl) N-[2,4-bis(fluoranyl)phenyl]carbamate
MOLECULAR FORMULA: C14H11F2NO3
MOLECULAR WEIGHT: 279.238846
SMILES: COC1=CC=CC(=C1)OC(=O)NC2=C(C=C(C=C2)F)F
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Product OPENEYE NAME: dimethyl 3-(3-methoxybenzoyl)pentanedioate
CAS Name: 3-[(3-methoxyphenyl)-oxomethyl]pentanedioic acid dimethyl ester
IUPAC NAME: dimethyl 3-(3-methoxybenzoyl)pentanedioate
SYSTEMATIC NAME: dimethyl 3-(3-methoxyphenyl)carbonylpentanedioate
MOLECULAR FORMULA: C15H18O6
MOLECULAR WEIGHT: 294.29982
SMILES: COC1=CC=CC(=C1)C(=O)C(CC(=O)OC)CC(=O)OC
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Product OPENEYE NAME: N-(3-chloro-4-methyl-phenyl)-2-methoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CAS Name: N-(3-chloro-4-methylphenyl)-2-methoxy-N-[(2-oxo-1-pyrrolidinyl)methyl]benzamide
IUPAC NAME: N-(3-chloro-4-methylphenyl)-2-methoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SYSTEMATIC NAME: N-(3-chloranyl-4-methyl-phenyl)-2-methoxy-N-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide
MOLECULAR FORMULA: C20H21ClN2O3
MOLECULAR WEIGHT: 372.84534
SMILES: CC1=C(C=C(C=C1)N(CN2CCCC2=O)C(=O)C3=CC=CC=C3OC)Cl
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Product OPENEYE NAME: 4-chloro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CAS Name: 4-chloro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
IUPAC NAME: 4-chloro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
SYSTEMATIC NAME: 4-chloranyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
MOLECULAR FORMULA: C20H19ClN2O
MOLECULAR WEIGHT: 338.83066
SMILES: C1CCC2=C(C1)C3=C(N2)C=CC(=C3)CNC(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N4-(benzylideneamino)-5-nitro-pyrimidine-4,6-diamine
CAS Name: 5-nitro-N4-[(phenylmethylene)amino]pyrimidine-4,6-diamine
IUPAC NAME: 4-N-(benzylideneamino)-5-nitropyrimidine-4,6-diamine
SYSTEMATIC NAME: 5-nitro-N4-[(phenylmethylidene)amino]pyrimidine-4,6-diamine
MOLECULAR FORMULA: C11H10N6O2
MOLECULAR WEIGHT: 258.2361
SMILES: C1=CC=C(C=C1)C=NNC2=NC=NC(=C2[N+](=O)[O-])N
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Product OPENEYE NAME: 4-benzoyl-N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]benzamide
CAS Name: 4-benzoyl-N-[4-(2,4-dimethoxyphenyl)-2-thiazolyl]benzamide
IUPAC NAME: 4-benzoyl-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(phenylcarbonyl)benzamide
MOLECULAR FORMULA: C25H20N2O4S
MOLECULAR WEIGHT: 444.5023
SMILES: COC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)OC
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Product OPENEYE NAME: 4-ethoxy-N-[2-(o-tolyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CAS Name: 4-ethoxy-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
IUPAC NAME: 4-ethoxy-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SYSTEMATIC NAME: 4-ethoxy-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
MOLECULAR FORMULA: C21H21N3O2S
MOLECULAR WEIGHT: 379.47534
SMILES: CCOC1=CC=C(C=C1)C(=O)NC2=C3CSCC3=NN2C4=CC=CC=C4C
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