Thursday, November 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyridyl)thiophene-2-carboxamide
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyridinyl)-2-thiophenecarboxamide
IUPAC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-ylthiophene-2-carboxamide
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-thiophene-2-carboxamide
MOLECULAR FORMULA: C18H14N2O3S
MOLECULAR WEIGHT: 338.38036
SMILES: C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(S3)C4=CC=CC=N4
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Product OPENEYE NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydrobenzofuran-6-yl)-4-methyl-thiazole-5-carboxamide
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydrobenzofuran-6-yl)-4-methyl-5-thiazolecarboxamide
IUPAC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C21H18N2O4S
MOLECULAR WEIGHT: 394.44362
SMILES: CC1=C(SC(=N1)C2=CC3=C(CCO3)C=C2)C(=O)NC4=CC5=C(C=C4)OCCO5
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Product OPENEYE NAME: 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
CAS Name: 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenesulfonamide
IUPAC NAME: 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(phenylsulfonyl)thiophene-2-sulfonamide
MOLECULAR FORMULA: C18H15NO6S3
MOLECULAR WEIGHT: 437.5098
SMILES: C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC(=CS3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: ethyl 3-amino-1-methyl-5-nitro-indole-2-carboxylate
CAS Name: 3-amino-1-methyl-5-nitro-2-indolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-amino-1-methyl-5-nitroindole-2-carboxylate
SYSTEMATIC NAME: ethyl 3-azanyl-1-methyl-5-nitro-indole-2-carboxylate
MOLECULAR FORMULA: C12H13N3O4
MOLECULAR WEIGHT: 263.24932
SMILES: CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)[N+](=O)[O-])N
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Product OPENEYE NAME: 2-(cyanomethylamino)-5-nitro-benzonitrile
CAS Name: 2-(cyanomethylamino)-5-nitrobenzonitrile
IUPAC NAME: 2-(cyanomethylamino)-5-nitrobenzonitrile
SYSTEMATIC NAME: 2-(cyanomethylamino)-5-nitro-benzenecarbonitrile
MOLECULAR FORMULA: C9H6N4O2
MOLECULAR WEIGHT: 202.16954
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCC#N
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Product OPENEYE NAME: 5-(2,3-dihydrobenzofuran-5-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-thiazole-2-carboxamide
CAS Name: 5-(2,3-dihydrobenzofuran-5-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-2-thiazolecarboxamide
IUPAC NAME: 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,3-thiazole-2-carboxamide
SYSTEMATIC NAME: 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,3-thiazole-2-carboxamide
MOLECULAR FORMULA: C22H19FN2O4S
MOLECULAR WEIGHT: 426.460663
SMILES: CC1=C(SC(=N1)C(=O)NCC2=C3C(=CC(=C2)F)COCO3)C4=CC5=C(C=C4)OCC5
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Product OPENEYE NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-5-(2-pyridyl)thiophene-2-carboxamide
CAS Name: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-5-(2-pyridinyl)-2-thiophenecarboxamide
IUPAC NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-5-pyridin-2-ylthiophene-2-carboxamide
SYSTEMATIC NAME: N-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-5-pyridin-2-yl-thiophene-2-carboxamide
MOLECULAR FORMULA: C19H15FN2O3S
MOLECULAR WEIGHT: 370.397403
SMILES: C1C2=CC(=CC(=C2OCO1)CNC(=O)C3=CC=C(S3)C4=CC=CC=N4)F
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Product OPENEYE NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
CAS Name: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
IUPAC NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
SYSTEMATIC NAME: N-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
MOLECULAR FORMULA: C16H12FN3O4
MOLECULAR WEIGHT: 329.282583
SMILES: C1C2=CC(=CC(=C2OCO1)CNC(=O)C3=CC4=NON=C4C=C3)F
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Product OPENEYE NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropanecarboxamide
CAS Name: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropanecarboxamide
IUPAC NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropanecarboxamide
SYSTEMATIC NAME: N-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]cyclopropanecarboxamide
MOLECULAR FORMULA: C13H14FNO3
MOLECULAR WEIGHT: 251.253563
SMILES: C1CC1C(=O)NCC2=C3C(=CC(=C2)F)COCO3
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Product OPENEYE NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]isoxazole-5-carboxamide
CAS Name: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-5-isoxazolecarboxamide
IUPAC NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,2-oxazole-5-carboxamide
SYSTEMATIC NAME: N-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-1,2-oxazole-5-carboxamide
MOLECULAR FORMULA: C13H11FN2O4
MOLECULAR WEIGHT: 278.235843
SMILES: C1C2=CC(=CC(=C2OCO1)CNC(=O)C3=CC=NO3)F
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Product OPENEYE NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-thiadiazole-5-carboxamide
CAS Name: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-5-thiadiazolecarboxamide
IUPAC NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-methylthiadiazole-5-carboxamide
SYSTEMATIC NAME: N-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
MOLECULAR FORMULA: C13H12FN3O3S
MOLECULAR WEIGHT: 309.316083
SMILES: CC1=C(SN=N1)C(=O)NCC2=C3C(=CC(=C2)F)COCO3
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Product OPENEYE NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-isoxazole-4-carboxamide
CAS Name: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-4-isoxazolecarboxamide
IUPAC NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: N-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C15H15FN2O4
MOLECULAR WEIGHT: 306.289003
SMILES: CC1=C(C(=NO1)C)C(=O)NCC2=C3C(=CC(=C2)F)COCO3
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Product OPENEYE NAME: 4-(benzenesulfonyl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]thiophene-2-sulfonamide
CAS Name: 4-(benzenesulfonyl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-2-thiophenesulfonamide
IUPAC NAME: 4-(benzenesulfonyl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]thiophene-2-sulfonamide
SYSTEMATIC NAME: N-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylsulfonyl)thiophene-2-sulfonamide
MOLECULAR FORMULA: C19H16FNO6S3
MOLECULAR WEIGHT: 469.526843
SMILES: C1C2=CC(=CC(=C2OCO1)CNS(=O)(=O)C3=CC(=CS3)S(=O)(=O)C4=CC=CC=C4)F
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Product OPENEYE NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,2-dimethyl-imidazole-4-sulfonamide
CAS Name: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,2-dimethyl-4-imidazolesulfonamide
IUPAC NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide
SYSTEMATIC NAME: N-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-1,2-dimethyl-imidazole-4-sulfonamide
MOLECULAR FORMULA: C14H16FN3O4S
MOLECULAR WEIGHT: 341.357943
SMILES: CC1=NC(=CN1C)S(=O)(=O)NCC2=C3C(=CC(=C2)F)COCO3
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Product OPENEYE NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-isoxazole-4-sulfonamide
CAS Name: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-4-isoxazolesulfonamide
IUPAC NAME: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SYSTEMATIC NAME: N-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
MOLECULAR FORMULA: C14H15FN2O5S
MOLECULAR WEIGHT: 342.342703
SMILES: CC1=C(C(=NO1)C)S(=O)(=O)NCC2=C3C(=CC(=C2)F)COCO3
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Product OPENEYE NAME: methyl 4-(4-morpholinosulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate
CAS Name: 4-[4-(4-morpholinylsulfonyl)phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-(4-morpholin-4-ylsulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 4-(4-morpholin-4-ylsulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate
MOLECULAR FORMULA: C17H16F3NO5S2
MOLECULAR WEIGHT: 435.43785
SMILES: COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3
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Product OPENEYE NAME: methyl 4-[4-(1-piperidylsulfonyl)phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate
CAS Name: 4-[4-(1-piperidinylsulfonyl)phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 4-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate
MOLECULAR FORMULA: C18H18F3NO4S2
MOLECULAR WEIGHT: 433.46503
SMILES: COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3
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Product OPENEYE NAME: methyl 4-(4-pyrrolidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate
CAS Name: 4-[4-(1-pyrrolidinylsulfonyl)phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-(4-pyrrolidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 4-(4-pyrrolidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate
MOLECULAR FORMULA: C17H16F3NO4S2
MOLECULAR WEIGHT: 419.43845
SMILES: COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3
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Product OPENEYE NAME: methyl 4-[4-[cyclohexyl(phenyl)sulfamoyl]phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate
CAS Name: 4-[4-[cyclohexyl(phenyl)sulfamoyl]phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-[4-[cyclohexyl(phenyl)sulfamoyl]phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 4-[4-[cyclohexyl(phenyl)sulfamoyl]phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate
MOLECULAR FORMULA: C25H24F3NO4S2
MOLECULAR WEIGHT: 523.58757
SMILES: COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N(C3CCCCC3)C4=CC=CC=C4
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Product OPENEYE NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-2-thienyl)methanone
CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3-chloro-2-thiophenyl)methanone
IUPAC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chlorothiophen-2-yl)methanone
SYSTEMATIC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloranylthiophen-2-yl)methanone
MOLECULAR FORMULA: C17H17ClN2O3S
MOLECULAR WEIGHT: 364.84648
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CS4)Cl
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Product OPENEYE NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethylphenyl)methanone
CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-ethylphenyl)methanone
IUPAC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethylphenyl)methanone
SYSTEMATIC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethylphenyl)methanone
MOLECULAR FORMULA: C21H24N2O3
MOLECULAR WEIGHT: 352.42686
SMILES: CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-methyl-5-thiadiazolyl)methanone
IUPAC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SYSTEMATIC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-1,2,3-thiadiazol-5-yl)methanone
MOLECULAR FORMULA: C16H18N4O3S
MOLECULAR WEIGHT: 346.40412
SMILES: CC1=C(SN=N1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-bromo-2-thienyl)methanone
CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3-bromo-2-thiophenyl)methanone
IUPAC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-bromothiophen-2-yl)methanone
SYSTEMATIC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-bromanylthiophen-2-yl)methanone
MOLECULAR FORMULA: C17H17BrN2O3S
MOLECULAR WEIGHT: 409.29748
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CS4)Br
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,5-dichlorophenyl)sulfonyl-piperazine
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,5-dichlorophenyl)sulfonylpiperazine
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,5-dichlorophenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3,5-bis(chloranyl)phenyl]sulfonyl-piperazine
MOLECULAR FORMULA: C18H18Cl2N2O4S
MOLECULAR WEIGHT: 429.31752
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl
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