Friday, March 30, 2012

http://ChemLookup.com Compounds




CAS RN: 379244-68-5
CAS Name: 1-(4-tert-butylphenyl)sulfonylpiperazine
OPENEYE Name: 1-(4-tert-butylphenyl)sulfonylpiperazine
IUPAC Name: 1-(4-tert-butylphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)sulfonylpiperazine
MOLECULAR FORMULA: C14H22N2O2S
MOLECULAR WEIGHT: 282.40168
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2
Structure:

CAS RN: 4425-84-7
CAS Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitro-7-quinolinyl)methyl]cyclohexanecarboxamide
OPENEYE Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitro-7-quinolyl)methyl]cyclohexanecarboxamide
IUPAC Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]cyclohexanecarboxamide
SYSTEMATIC NAME: N-[1,3-benzodioxol-5-yl-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]cyclohexanecarboxamide
MOLECULAR FORMULA: C24H23N3O6
MOLECULAR WEIGHT: 449.45592
SMILES: C1CCC(CC1)C(=O)NC(C2=CC3=C(C=C2)OCO3)C4=CC(=C5C=CC=NC5=C4O)[N+](=O)[O-]
Structure:

CAS RN: 82205-58-1
CAS Name: 1-(5-nitro-2-pyridinyl)piperazine
OPENEYE Name: 1-(5-nitro-2-pyridyl)piperazine
IUPAC Name: 1-(5-nitropyridin-2-yl)piperazine
SYSTEMATIC NAME: 1-(5-nitropyridin-2-yl)piperazine
MOLECULAR FORMULA: C9H12N4O2
MOLECULAR WEIGHT: 208.21718
SMILES: C1CN(CCN1)C2=NC=C(C=C2)[N+](=O)[O-]
Structure:

CAS RN: 132605-26-6
CAS Name: 3-ethyl-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 3-ethyl-7-methyl-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 3-ethyl-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-ethyl-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C13H16N2OS2
MOLECULAR WEIGHT: 280.40894
SMILES: CCN1C(=O)C2=C(NC1=S)SC3=C2CCC(C3)C
Structure:

CAS RN: 436811-15-3
CAS Name: 1-[(5-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[(5-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid
IUPAC Name: 1-[(5-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[(5-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C12H13N3O4S2
MOLECULAR WEIGHT: 327.37932
SMILES: CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCCC3C(=O)O
Structure:

CAS RN: 5998-79-8
CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4-methoxyphenyl)acetamide
OPENEYE Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SYSTEMATIC NAME: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)ethanamide
MOLECULAR FORMULA: C15H17N3O2S
MOLECULAR WEIGHT: 303.37938
SMILES: CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)OC)C
Structure:

CAS RN: 5551-46-2
CAS Name: N-[4-[[2-(4-chlorophenyl)-1-oxoethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide
OPENEYE Name: N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methyl-phenyl]benzofuran-2-carboxamide
IUPAC Name: N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
SYSTEMATIC NAME: N-[4-[2-(4-chlorophenyl)ethanoylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide
MOLECULAR FORMULA: C24H19ClN2O3
MOLECULAR WEIGHT: 418.87226
SMILES: CC1=C(C=CC(=C1)NC(=O)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC4=CC=CC=C4O3
Structure:

CAS RN: 436855-71-9
CAS Name: 2-[[2-furanyl(oxo)methyl]amino]pentanoic acid
OPENEYE Name: 2-(furan-2-carbonylamino)pentanoic acid
IUPAC Name: 2-(furan-2-carbonylamino)pentanoic acid
SYSTEMATIC NAME: 2-(furan-2-ylcarbonylamino)pentanoic acid
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: CCCC(C(=O)O)NC(=O)C1=CC=CO1
Structure:

CAS RN: 91891-24-6
CAS Name: 1-(3-hydroxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(3-hydroxyphenyl)-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-(3-hydroxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C11H11NO4
MOLECULAR WEIGHT: 221.20934
SMILES: C1C(CN(C1=O)C2=CC(=CC=C2)O)C(=O)O
Structure:

CAS RN: 56617-46-0
CAS Name: 1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)O)C
Structure:

CAS RN: 1998-86-3
CAS Name: 1-(2-fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-(2-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C11H10FNO3
MOLECULAR WEIGHT: 223.200403
SMILES: C1C(CN(C1=O)C2=CC=CC=C2F)C(=O)O
Structure:

CAS RN: 436855-75-3
CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]butanoic acid
OPENEYE Name: 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid
IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid
SYSTEMATIC NAME: 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)butanoic acid
MOLECULAR FORMULA: C13H15NO5
MOLECULAR WEIGHT: 265.2619
SMILES: CCC(C(=O)O)NC(=O)C1=CC2=C(C=C1)OCCO2
Structure:

CAS RN: 4417-93-0
CAS Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-phenylmethanesulfonamide
OPENEYE Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-phenyl-methanesulfonamide
IUPAC Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-phenylmethanesulfonamide
SYSTEMATIC NAME: N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-1-phenyl-methanesulfonamide
MOLECULAR FORMULA: C16H16F3N3O4S
MOLECULAR WEIGHT: 403.37615
SMILES: C1=CC=C(C=C1)CS(=O)(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Structure:

CAS RN: 4413-76-7
CAS Name: acetic acid [2-[2-(4-chlorophenyl)ethenyl]-8-quinolinyl] ester
OPENEYE Name: [2-[2-(4-chlorophenyl)vinyl]-8-quinolyl] acetate
IUPAC Name: [2-[2-(4-chlorophenyl)ethenyl]quinolin-8-yl] acetate
SYSTEMATIC NAME: [2-[2-(4-chlorophenyl)ethenyl]quinolin-8-yl] ethanoate
MOLECULAR FORMULA: C19H14ClNO2
MOLECULAR WEIGHT: 323.77296
SMILES: CC(=O)OC1=CC=CC2=C1N=C(C=C2)C=CC3=CC=C(C=C3)Cl
Structure:

CAS RN: 312921-75-8
CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid
OPENEYE Name: 4-(4-methyl-1-piperidyl)-3-nitro-benzoic acid
IUPAC Name: 4-(4-methylpiperidin-1-yl)-3-nitrobenzoic acid
SYSTEMATIC NAME: 4-(4-methylpiperidin-1-yl)-3-nitro-benzoic acid
MOLECULAR FORMULA: C13H16N2O4
MOLECULAR WEIGHT: 264.27714
SMILES: CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]
Structure:

CAS RN: 111983-60-9
CAS Name: 6-[2-(difluoromethoxy)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester
OPENEYE Name: methyl 6-[2-(difluoromethoxy)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
IUPAC Name: methyl 6-[2-(difluoromethoxy)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl 6-[2-[bis(fluoranyl)methoxy]phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C15H16F2N2O4
MOLECULAR WEIGHT: 326.295346
SMILES: CC1=C(C(NC(=O)N1C)C2=CC=CC=C2OC(F)F)C(=O)OC
Structure:

CAS RN: 73413-79-3
CAS Name: (7,7-dimethyl-2,3-dioxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid
OPENEYE Name: (7,7-dimethyl-2,3-dioxo-norbornan-1-yl)methanesulfonic acid
IUPAC Name: (7,7-dimethyl-2,3-dioxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid
SYSTEMATIC NAME: [7,7-dimethyl-2,3-bis(oxidanylidene)-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
MOLECULAR FORMULA: C10H14O5S
MOLECULAR WEIGHT: 246.28016
SMILES: CC1(C2CCC1(C(=O)C2=O)CS(=O)(=O)O)C
Structure:

CAS RN: 223393-69-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H9N5O5S2
MOLECULAR WEIGHT: 403.39246
SMILES: C1=CC(=CC=C1C2C3=C(NC(=S)NC3=O)OC4=C2C(=O)NC(=S)N4)[N+](=O)[O-]
Structure:

CAS RN: 139158-24-0
CAS Name: 3-(1-adamantyl)-4-methyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(1-adamantyl)-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(1-adamantyl)-4-methyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(1-adamantyl)-4-methyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C13H19N3S
MOLECULAR WEIGHT: 249.37506
SMILES: CN1C(=NNC1=S)C23CC4CC(C2)CC(C4)C3
Structure:

CAS RN: 318466-02-3
CAS Name: 2-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]-4-(methylthio)butanoic acid
OPENEYE Name: 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-methylsulfanyl-butanoic acid
IUPAC Name: 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
SYSTEMATIC NAME: 2-[(2,5-dimethylfuran-3-yl)carbonylamino]-4-methylsulfanyl-butanoic acid
MOLECULAR FORMULA: C12H17NO4S
MOLECULAR WEIGHT: 271.33268
SMILES: CC1=CC(=C(O1)C)C(=O)NC(CCSC)C(=O)O
Structure:

CAS RN: 132627-72-6
CAS Name: 3,7-dimethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 3,7-dimethyl-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 3,7-dimethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3,7-dimethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C12H14N2OS2
MOLECULAR WEIGHT: 266.38236
SMILES: CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C
Structure:

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