Monday, April 30, 2012

http://ChemLookup.com Compounds




CAS RN: 5832-01-9
CAS Name: 2-(2,5-dimethyl-7-nitro-1-imidazo[1,2-c]imidazolyl)acetic acid
OPENEYE Name: 2-(2,5-dimethyl-7-nitro-imidazo[1,2-c]imidazol-1-yl)acetic acid
IUPAC Name: 2-(2,5-dimethyl-7-nitroimidazo[1,2-c]imidazol-1-yl)acetic acid
SYSTEMATIC NAME: 2-(2,5-dimethyl-7-nitro-imidazo[1,2-c]imidazol-1-yl)ethanoic acid
MOLECULAR FORMULA: C9H10N4O4
MOLECULAR WEIGHT: 238.2001
SMILES: CC1=CN2C(=NC(=C2N1CC(=O)O)[N+](=O)[O-])C
Structure:

CAS RN: 193623-14-2
CAS Name: (4R)-3-acetyl-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl (4R)-3-acetyl-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
IUPAC Name: ethyl (4R)-3-acetyl-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4R)-3-ethanoyl-6-methyl-2-oxidanylidene-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C16H18N2O4
MOLECULAR WEIGHT: 302.32512
SMILES: CCOC(=O)C1=C(NC(=O)N([C@@H]1C2=CC=CC=C2)C(=O)C)C
Structure:

CAS RN: 193623-14-2
CAS Name: (4S)-3-acetyl-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl (4S)-3-acetyl-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
IUPAC Name: ethyl (4S)-3-acetyl-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4S)-3-ethanoyl-6-methyl-2-oxidanylidene-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C16H18N2O4
MOLECULAR WEIGHT: 302.32512
SMILES: CCOC(=O)C1=C(NC(=O)N([C@H]1C2=CC=CC=C2)C(=O)C)C
Structure:

CAS RN: 1496-40-8
CAS Name: 2-(1-piperidinyl)-5-(trifluoromethyl)aniline
OPENEYE Name: 2-(1-piperidyl)-5-(trifluoromethyl)aniline
IUPAC Name: 2-piperidin-1-yl-5-(trifluoromethyl)aniline
SYSTEMATIC NAME: 2-piperidin-1-yl-5-(trifluoromethyl)aniline
MOLECULAR FORMULA: C12H15F3N2
MOLECULAR WEIGHT: 244.25611
SMILES: C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)N
Structure:

CAS RN: 6195-03-5
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)-2-propenamide
OPENEYE Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridyl)prop-2-enamide
IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-methylpyridin-2-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-methylpyridin-2-yl)prop-2-enamide
MOLECULAR FORMULA: C16H14N2O3
MOLECULAR WEIGHT: 282.29396
SMILES: CC1=CC(=NC=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3
Structure:

CAS RN: 3726-36-1
CAS Name: 1-(4-fluorophenyl)-3-phenylthiourea
OPENEYE Name: 1-(4-fluorophenyl)-3-phenyl-thiourea
IUPAC Name: 1-(4-fluorophenyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C13H11FN2S
MOLECULAR WEIGHT: 246.303243
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)F
Structure:

CAS RN: 5747-82-0
CAS Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylacetamide
OPENEYE Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenyl-acetamide
IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylacetamide
SYSTEMATIC NAME: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenyl-ethanamide
MOLECULAR FORMULA: C21H17N3O
MOLECULAR WEIGHT: 327.37918
SMILES: C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3
Structure:

CAS RN: 215778-63-5
CAS Name: 6-bromo-2-methyl-4-quinolinecarbohydrazide
OPENEYE Name: 6-bromo-2-methyl-quinoline-4-carbohydrazide
IUPAC Name: 6-bromo-2-methylquinoline-4-carbohydrazide
SYSTEMATIC NAME: 6-bromanyl-2-methyl-quinoline-4-carbohydrazide
MOLECULAR FORMULA: C11H10BrN3O
MOLECULAR WEIGHT: 280.1206
SMILES: CC1=NC2=C(C=C(C=C2)Br)C(=C1)C(=O)NN
Structure:

CAS RN: 79448-02-5
CAS Name: 1-(2-furanylmethyl)-3-(2-methoxyphenyl)thiourea
OPENEYE Name: 1-(2-furylmethyl)-3-(2-methoxyphenyl)thiourea
IUPAC Name: 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea
MOLECULAR FORMULA: C13H14N2O2S
MOLECULAR WEIGHT: 262.32746
SMILES: COC1=CC=CC=C1NC(=S)NCC2=CC=CO2
Structure:

CAS RN: 4815-37-6
CAS Name: 2-amino-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-5-methyl-4-phenyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5-methyl-4-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C14H15NO2S
MOLECULAR WEIGHT: 261.3394
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)N
Structure:

CAS RN: 5655-67-4
CAS Name: 1-(2,4-dimethyl-3-pyrazolo[1,5-a]benzimidazolyl)ethanone
OPENEYE Name: 1-(2,4-dimethylpyrazolo[1,5-a]benzimidazol-3-yl)ethanone
IUPAC Name: 1-(2,4-dimethylpyrazolo[1,5-a]benzimidazol-3-yl)ethanone
SYSTEMATIC NAME: 1-(2,4-dimethylpyrazolo[1,5-a]benzimidazol-3-yl)ethanone
MOLECULAR FORMULA: C13H13N3O
MOLECULAR WEIGHT: 227.26182
SMILES: CC1=NN2C3=CC=CC=C3N(C2=C1C(=O)C)C
Structure:

CAS RN: 5799-86-0
CAS Name: 5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-[(2,4-dimethoxyphenyl)methylene]-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C17H20N2O4S
MOLECULAR WEIGHT: 348.4167
SMILES: CCN1C(=O)C(=CC2=C(C=C(C=C2)OC)OC)C(=O)N(C1=S)CC
Structure:

CAS RN: 174561-11-6
CAS Name: 2-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]ethanol
OPENEYE Name: 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
IUPAC Name: 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
SYSTEMATIC NAME: 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
MOLECULAR FORMULA: C13H19FN2O
MOLECULAR WEIGHT: 238.301163
SMILES: C1CN(CCN1CCO)CC2=CC=C(C=C2)F
Structure:

CAS RN: 183673-71-4
CAS Name: 4-amino-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid
OPENEYE Name: 4-amino-1-tert-butoxycarbonyl-piperidine-4-carboxylic acid
IUPAC Name: 4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SYSTEMATIC NAME: 4-azanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
MOLECULAR FORMULA: C11H20N2O4
MOLECULAR WEIGHT: 244.2875
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)N
Structure:

CAS RN: 40553-78-4
CAS Name: 1,2,2,6,6-pentamethyl-4-piperidinamine
OPENEYE Name: 1,2,2,6,6-pentamethylpiperidin-4-amine
IUPAC Name: 1,2,2,6,6-pentamethylpiperidin-4-amine
SYSTEMATIC NAME: 1,2,2,6,6-pentamethylpiperidin-4-amine
MOLECULAR FORMULA: C10H22N2
MOLECULAR WEIGHT: 170.29508
SMILES: CC1(CC(CC(N1C)(C)C)N)C
Structure:

CAS RN: 77-70-3
CAS Name: 1-(5-chloro-2-methylphenyl)piperazine
OPENEYE Name: 1-(5-chloro-2-methyl-phenyl)piperazine
IUPAC Name: 1-(5-chloro-2-methylphenyl)piperazine
SYSTEMATIC NAME: 1-(5-chloranyl-2-methyl-phenyl)piperazine
MOLECULAR FORMULA: C11H15ClN2
MOLECULAR WEIGHT: 210.7032
SMILES: CC1=C(C=C(C=C1)Cl)N2CCNCC2
Structure:

No comments:

Post a Comment