Friday, December 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-(4-fluorophenyl)-2-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]acetamide
CAS Name: N-(4-fluorophenyl)-2-[4-[1H-indazol-7-yl(oxo)methyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(4-fluorophenyl)-2-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-2-[4-(1H-indazol-7-ylcarbonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H20FN5O2
MOLECULAR WEIGHT: 381.403503
SMILES: C1CN(CCN1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC=CC4=C3NN=C4
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Product OPENEYE NAME: N-[3-(2-furyl)-1-methyl-propyl]-2,4,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-[4-(2-furanyl)butan-2-yl]-2,4,5-trimethyl-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-[4-(furan-2-yl)butan-2-yl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[4-(furan-2-yl)butan-2-yl]-2,4,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C18H21N3O2S
MOLECULAR WEIGHT: 343.44324
SMILES: CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)NC(C)CCC3=CC=CO3
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Product OPENEYE NAME: 5-[[ethyl-[2-(isopropylamino)-2-oxo-ethyl]amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CAS Name: 5-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
IUPAC NAME: 5-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SYSTEMATIC NAME: 5-[[ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
MOLECULAR FORMULA: C17H22FN5O2S
MOLECULAR WEIGHT: 379.452283
SMILES: CCN(CC1=NN=C(S1)C(=O)NC2=CC=C(C=C2)F)CC(=O)NC(C)C
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Product OPENEYE NAME: 5-[[(4-allyloxyphenyl)methyl-methyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CAS Name: N-(4-fluorophenyl)-5-[[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
IUPAC NAME: N-(4-fluorophenyl)-5-[[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-5-[[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
MOLECULAR FORMULA: C21H21FN4O2S
MOLECULAR WEIGHT: 412.480443
SMILES: CN(CC1=CC=C(C=C1)OCC=C)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: N-(4-fluorophenyl)-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CAS Name: N-(4-fluorophenyl)-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
IUPAC NAME: N-(4-fluorophenyl)-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
MOLECULAR FORMULA: C20H19FN4OS
MOLECULAR WEIGHT: 382.454463
SMILES: CC1=CC2=C(C=C1)N(CCC2)CC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)F
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
MOLECULAR FORMULA: C19H16N4O3S
MOLECULAR WEIGHT: 380.42034
SMILES: CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4)C
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-benzyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate
MOLECULAR FORMULA: C23H16N4O4S
MOLECULAR WEIGHT: 444.46254
SMILES: C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NOC(=N4)C5=CSC=C5
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-butoxy-3-methoxy-benzoate
CAS Name: 4-butoxy-3-methoxybenzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-butoxy-3-methoxybenzoate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-butoxy-3-methoxy-benzoate
MOLECULAR FORMULA: C19H20N2O5S
MOLECULAR WEIGHT: 388.4375
SMILES: CCCCOC1=C(C=C(C=C1)C(=O)OCC2=NOC(=N2)C3=CSC=C3)OC
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 5-chlorothiophene-2-carboxylate
CAS Name: 5-chloro-2-thiophenecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 5-chlorothiophene-2-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 5-chloranylthiophene-2-carboxylate
MOLECULAR FORMULA: C12H7ClN2O3S2
MOLECULAR WEIGHT: 326.77858
SMILES: C1=CSC=C1C2=NC(=NO2)COC(=O)C3=CC=C(S3)Cl
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Product OPENEYE NAME: 2,4,5-trimethyl-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: 2,4,5-trimethyl-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: 2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C22H26N4O3S2
MOLECULAR WEIGHT: 458.59684
SMILES: CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4
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Product OPENEYE NAME: N-[[4-(1-piperidylsulfonyl)phenyl]methyl]-1H-indazole-7-carboxamide
CAS Name: N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-1H-indazole-7-carboxamide
IUPAC NAME: N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-7-carboxamide
SYSTEMATIC NAME: N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-7-carboxamide
MOLECULAR FORMULA: C20H22N4O3S
MOLECULAR WEIGHT: 398.47868
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CC=CC4=C3NN=C4
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl benzofuran-2-carboxylate
CAS Name: 2-benzofurancarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-benzofuran-2-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C16H10N2O4S
MOLECULAR WEIGHT: 326.3266
SMILES: C1=CC=C2C(=C1)C=C(O2)C(=O)OCC3=NOC(=N3)C4=CSC=C4
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromothiophene-2-carboxylate
CAS Name: 5-bromo-2-thiophenecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 5-bromothiophene-2-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 5-bromanylthiophene-2-carboxylate
MOLECULAR FORMULA: C12H7BrN2O3S2
MOLECULAR WEIGHT: 371.22958
SMILES: C1=CSC=C1C2=NC(=NO2)COC(=O)C3=CC=C(S3)Br
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Product OPENEYE NAME: methyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl]amino]-6-methyl-benzoate
CAS Name: 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]-6-methylbenzoic acid methyl ester
IUPAC NAME: methyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]-6-methylbenzoate
SYSTEMATIC NAME: methyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl]amino]-6-methyl-benzoate
MOLECULAR FORMULA: C18H20N2O3S
MOLECULAR WEIGHT: 344.428
SMILES: CC1=C(C(=CC=C1)NCC(=O)N2CCC3=C(C2)C=CS3)C(=O)OC
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Product OPENEYE NAME: N-[3-(benzimidazol-1-yl)propyl]-2,4,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-[3-(1-benzimidazolyl)propyl]-2,4,5-trimethyl-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-[3-(benzimidazol-1-yl)propyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[3-(benzimidazol-1-yl)propyl]-2,4,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C20H21N5OS
MOLECULAR WEIGHT: 379.47864
SMILES: CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)NCCCN3C=NC4=CC=CC=C43
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Product OPENEYE NAME: N-[3-(benzimidazol-1-yl)propyl]-1H-indazole-7-carboxamide
CAS Name: N-[3-(1-benzimidazolyl)propyl]-1H-indazole-7-carboxamide
IUPAC NAME: N-[3-(benzimidazol-1-yl)propyl]-1H-indazole-7-carboxamide
SYSTEMATIC NAME: N-[3-(benzimidazol-1-yl)propyl]-1H-indazole-7-carboxamide
MOLECULAR FORMULA: C18H17N5O
MOLECULAR WEIGHT: 319.36048
SMILES: C1=CC=C2C(=C1)N=CN2CCCNC(=O)C3=CC=CC4=C3NN=C4
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Product OPENEYE NAME: 5-[[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CAS Name: 5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
IUPAC NAME: 5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SYSTEMATIC NAME: 5-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
MOLECULAR FORMULA: C19H18F2N4O2S
MOLECULAR WEIGHT: 404.433626
SMILES: CN(CC1=CC(=C(C=C1)OC)F)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-hydroxy-3-methoxy-benzoate
CAS Name: 2-hydroxy-3-methoxybenzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-hydroxy-3-methoxybenzoate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-methoxy-2-oxidanyl-benzoate
MOLECULAR FORMULA: C15H12N2O5S
MOLECULAR WEIGHT: 332.33118
SMILES: COC1=CC=CC(=C1O)C(=O)OCC2=NOC(=N2)C3=CSC=C3
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Product OPENEYE NAME: 5-[[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CAS Name: 5-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
IUPAC NAME: 5-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SYSTEMATIC NAME: 5-[[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
MOLECULAR FORMULA: C20H18FN5OS2
MOLECULAR WEIGHT: 427.518223
SMILES: CC(C1=NC2=CC=CC=C2S1)N(C)CC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)F
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Product OPENEYE NAME: 5-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CAS Name: 5-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
IUPAC NAME: 5-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SYSTEMATIC NAME: 5-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
MOLECULAR FORMULA: C22H23FN4O2S
MOLECULAR WEIGHT: 426.507023
SMILES: CCOC1=CC=C(C=C1)C2CCCN2CC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)F
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate
CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C16H14N2O3S2
MOLECULAR WEIGHT: 346.42396
SMILES: C1CCC2=C(C1)C=C(S2)C(=O)OCC3=NOC(=N3)C4=CSC=C4
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Product OPENEYE NAME: 5-[[bis(2-furylmethyl)amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CAS Name: 5-[[bis(2-furanylmethyl)amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
IUPAC NAME: 5-[[bis(furan-2-ylmethyl)amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SYSTEMATIC NAME: 5-[[bis(furan-2-ylmethyl)amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
MOLECULAR FORMULA: C20H17FN4O3S
MOLECULAR WEIGHT: 412.437383
SMILES: C1=COC(=C1)CN(CC2=CC=CO2)CC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)F
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate
MOLECULAR FORMULA: C16H11N3O4S2
MOLECULAR WEIGHT: 373.40624
SMILES: C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4
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