Wednesday, June 29, 2011

http://ChemLookup.com Compounds




CAS RN: 1093070-15-5
CAS Name: 2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]-5-nitrobenzamide
OPENEYE Name: 2-methyl-N-[(1R)-1-(1-naphthyl)ethyl]-5-nitro-benzamide
IUPAC Name: 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-nitrobenzamide
SYSTEMATIC NAME: 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-nitro-benzamide
MOLECULAR FORMULA: C20H18N2O3
MOLECULAR WEIGHT: 334.36852
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32

CAS RN: 1093070-14-4
CAS Name: 5-acetamido-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamide
OPENEYE Name: 5-acetamido-2-methyl-N-[(1R)-1-(1-naphthyl)ethyl]benzamide
IUPAC Name: 5-acetamido-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SYSTEMATIC NAME: 5-acetamido-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
MOLECULAR FORMULA: C22H22N2O2
MOLECULAR WEIGHT: 346.42228
SMILES: CC1=C(C=C(C=C1)NC(=O)C)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32

CAS RN: 1093070-13-3
CAS Name: 2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamide
OPENEYE Name: 2-methyl-N-[(1R)-1-(1-naphthyl)ethyl]benzamide
IUPAC Name: 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SYSTEMATIC NAME: 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
MOLECULAR FORMULA: C20H19NO
MOLECULAR WEIGHT: 289.37096
SMILES: CC1=CC=CC=C1C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32

CAS RN: 53-42-9
CAS Name: (5R,8R,10S,13S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
OPENEYE Name: (5R,8R,10S,13S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
IUPAC Name: (5R,8R,10S,13S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (5R,8R,10S,13S)-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C19H30O2
MOLECULAR WEIGHT: 290.4403
SMILES: C[C@]12CCC(C[C@H]1CC[C@@H]3C2CC[C@]4(C3CCC4=O)C)O

CAS RN: 3968-19-2
CAS Name: (1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol
OPENEYE Name: (1R)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol
IUPAC Name: (1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol
SYSTEMATIC NAME: (1R)-6-methoxy-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol
MOLECULAR FORMULA: C19H24NO4+
MOLECULAR WEIGHT: 330.39816
SMILES: C[NH+]1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)O)OC

CAS RN: 14897-06-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H33MgN4O5-
MOLECULAR WEIGHT: 613.96532
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)[O-])[C@H](C4=O)C(=O)OC)C)C.[Mg+2]

CAS RN: 526-91-0
CAS Name: (2R)-2,3,4,5-tetrahydroxypentanoate
OPENEYE Name: (2R)-2,3,4,5-tetrahydroxypentanoate
IUPAC Name: (2R)-2,3,4,5-tetrahydroxypentanoate
SYSTEMATIC NAME: (2R)-2,3,4,5-tetrakis(oxidanyl)pentanoate
MOLECULAR FORMULA: C5H9O6-
MOLECULAR WEIGHT: 165.12136
SMILES: C(C(C([C@H](C(=O)[O-])O)O)O)O

CAS RN: 14875-96-8
CAS Name: 3-[18-(2-carboxylatoethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoate; iron(4+)
OPENEYE Name: 3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-7,12-divinyl-porphyrin-21,23-diid-2-yl]propanoate; iron(4+)
IUPAC Name: 3-[18-(2-carboxylatoethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate; iron(4+)
SYSTEMATIC NAME: 3-[7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,23-diid-2-yl]propanoate; iron(4+)
MOLECULAR FORMULA: C34H30FeN4O4
MOLECULAR WEIGHT: 614.4714
SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)[O-])CCC(=O)[O-])C)C(=C3C)C=C)C=C.[Fe+4]

CAS RN: 26372-13-4
CAS Name: (2S,3R)-2,3,4,5-tetrahydroxyhexanoate
OPENEYE Name: (2S,3R)-2,3,4,5-tetrahydroxyhexanoate
IUPAC Name: (2S,3R)-2,3,4,5-tetrahydroxyhexanoate
SYSTEMATIC NAME: (2S,3R)-2,3,4,5-tetrakis(oxidanyl)hexanoate
MOLECULAR FORMULA: C6H11O6-
MOLECULAR WEIGHT: 179.14794
SMILES: CC(C([C@H]([C@@H](C(=O)[O-])O)O)O)O

CAS RN: 17510-99-5
CAS Name: (4S,5R)-4,5,6-trihydroxy-2-oxohexanoate
OPENEYE Name: (4S,5R)-4,5,6-trihydroxy-2-oxo-hexanoate
IUPAC Name: (4S,5R)-4,5,6-trihydroxy-2-oxohexanoate
SYSTEMATIC NAME: (4S,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoate
MOLECULAR FORMULA: C6H9O6-
MOLECULAR WEIGHT: 177.13206
SMILES: C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)[O-]

CAS RN: 27244-54-8
CAS Name: (4S,5R)-4,5-dihydroxy-2-oxo-6-phosphonatooxyhexanoate
OPENEYE Name: (4S,5R)-4,5-dihydroxy-2-oxo-6-phosphonatooxy-hexanoate
IUPAC Name: (4S,5R)-4,5-dihydroxy-2-oxo-6-phosphonatooxyhexanoate
SYSTEMATIC NAME: (4S,5R)-4,5-bis(oxidanyl)-2-oxidanylidene-6-phosphonatooxy-hexanoate
MOLECULAR FORMULA: C6H8O9P-3
MOLECULAR WEIGHT: 255.096081
SMILES: C([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)C(=O)C(=O)[O-]

CAS RN: 885280-38-6
CAS Name: N-(3-oxocyclohexyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(3-oxocyclohexyl)carbamate
IUPAC Name: tert-butyl N-(3-oxocyclohexyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(3-oxidanylidenecyclohexyl)carbamate
MOLECULAR FORMULA: C11H19NO3
MOLECULAR WEIGHT: 213.27346
SMILES: CC(C)(C)OC(=O)NC1CCCC(=O)C1

CAS RN: 479633-63-1
CAS Name: 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
OPENEYE Name: 4-chloro-7-(p-tolylsulfonyl)pyrrolo[2,3-d]pyrimidine
IUPAC Name: 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
SYSTEMATIC NAME: 4-chloranyl-7-(4-methylphenyl)sulfonyl-pyrrolo[2,3-d]pyrimidine
MOLECULAR FORMULA: C13H10ClN3O2S
MOLECULAR WEIGHT: 307.7554
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=CN=C3Cl

CAS RN: 923590-95-8
CAS Name: 4-bromo-2,3-dihydro-1H-isoindole hydrochloride
OPENEYE Name: 4-bromoisoindoline hydrochloride
IUPAC Name: 4-bromo-2,3-dihydro-1H-isoindole hydrochloride
SYSTEMATIC NAME: 4-bromanyl-2,3-dihydro-1H-isoindole hydrochloride
MOLECULAR FORMULA: C8H9BrClN
MOLECULAR WEIGHT: 234.52076
SMILES: C1C2=C(CN1)C(=CC=C2)Br.Cl

CAS RN: 439937-54-9
CAS Name: 5-bromo-2-ethylbenzoic acid methyl ester
OPENEYE Name: methyl 5-bromo-2-ethyl-benzoate
IUPAC Name: methyl 5-bromo-2-ethylbenzoate
SYSTEMATIC NAME: methyl 5-bromanyl-2-ethyl-benzoate
MOLECULAR FORMULA: C10H11BrO2
MOLECULAR WEIGHT: 243.09714
SMILES: CCC1=C(C=C(C=C1)Br)C(=O)OC

CAS RN: 862574-88-7
CAS Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-cyclopropanecarboxylic acid
OPENEYE Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid
IUPAC Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
SYSTEMATIC NAME: 1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C11H8F2O4
MOLECULAR WEIGHT: 242.175626
SMILES: C1CC1(C2=CC3=C(C=C2)OC(O3)(F)F)C(=O)O

CAS RN: 312746-72-8
CAS Name: 1H-indazole-7-carboxaldehyde
OPENEYE Name: 1H-indazole-7-carbaldehyde
IUPAC Name: 1H-indazole-7-carbaldehyde
SYSTEMATIC NAME: 1H-indazole-7-carbaldehyde
MOLECULAR FORMULA: C8H6N2O
MOLECULAR WEIGHT: 146.14604
SMILES: C1=CC2=C(C(=C1)C=O)NN=C2

CAS RN: 144167-50-0
CAS Name: 6-bromo-1H-benzimidazole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-bromo-1H-benzimidazole-2-carboxylate
IUPAC Name: ethyl 6-bromo-1H-benzimidazole-2-carboxylate
SYSTEMATIC NAME: ethyl 6-bromanyl-1H-benzimidazole-2-carboxylate
MOLECULAR FORMULA: C10H9BrN2O2
MOLECULAR WEIGHT: 269.09466
SMILES: CCOC(=O)C1=NC2=C(N1)C=C(C=C2)Br

CAS RN: 1017601-65-8
CAS Name: 1-(phenylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydropyridin-4-one
OPENEYE Name: 1-benzyl-5-(3,4,5-trimethoxyphenyl)-2,3-dihydropyridin-4-one
IUPAC Name: 1-benzyl-5-(3,4,5-trimethoxyphenyl)-2,3-dihydropyridin-4-one
SYSTEMATIC NAME: 1-(phenylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydropyridin-4-one
MOLECULAR FORMULA: C21H23NO4
MOLECULAR WEIGHT: 353.41162
SMILES: COC1=CC(=CC(=C1OC)OC)C2=CN(CCC2=O)CC3=CC=CC=C3

CAS RN: 1017601-63-6
CAS Name: 5-(4-chlorophenyl)-1-(phenylmethyl)-2,3-dihydropyridin-4-one
OPENEYE Name: 1-benzyl-5-(4-chlorophenyl)-2,3-dihydropyridin-4-one
IUPAC Name: 1-benzyl-5-(4-chlorophenyl)-2,3-dihydropyridin-4-one
SYSTEMATIC NAME: 5-(4-chlorophenyl)-1-(phenylmethyl)-2,3-dihydropyridin-4-one
MOLECULAR FORMULA: C18H16ClNO
MOLECULAR WEIGHT: 297.77874
SMILES: C1CN(C=C(C1=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

CAS RN: 886373-28-0
CAS Name: 5-bromo-3-fluoro-2-pyridinecarbonitrile
OPENEYE Name: 5-bromo-3-fluoro-pyridine-2-carbonitrile
IUPAC Name: 5-bromo-3-fluoropyridine-2-carbonitrile
SYSTEMATIC NAME: 5-bromanyl-3-fluoranyl-pyridine-2-carbonitrile
MOLECULAR FORMULA: C6H2BrFN2
MOLECULAR WEIGHT: 200.995883
SMILES: C1=C(C(=NC=C1Br)C#N)F

CAS RN: 1181578-48-2
CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]-1,1,2,2,3,3-hexadeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
OPENEYE Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,2,2,3,3-hexadeuterio-propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,2,2,3,3-hexadeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SYSTEMATIC NAME: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,2,2,3,3-hexadeuterio-propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
MOLECULAR FORMULA: C19H22ClN5O
MOLECULAR WEIGHT: 377.900851
SMILES: [2H]C([2H])(C([2H])([2H])N1CCN(CC1)C2=CC(=CC=C2)Cl)C([2H])([2H])N3C(=O)N4C=CC=CC4=N3

CAS RN: 150884-51-8
CAS Name: (NE)-N-[(4-cyanophenyl)methylidene]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl (NE)-N-[(4-cyanophenyl)methylene]carbamate
IUPAC Name: tert-butyl (NE)-N-[(4-cyanophenyl)methylidene]carbamate
SYSTEMATIC NAME: tert-butyl (NE)-N-[(4-cyanophenyl)methylidene]carbamate
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: CC(C)(C)OC(=O)/N=C/C1=CC=C(C=C1)C#N

CAS RN: 947725-04-4
CAS Name: (4-tert-butyl-2,6-dimethylphenyl)-trifluoro-$l^{4}-sulfane
OPENEYE Name: (4-tert-butyl-2,6-dimethyl-phenyl)-trifluoro-$l^{4}-sulfane
IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)-trifluoro-$l^{4}-sulfane
SYSTEMATIC NAME: (4-tert-butyl-2,6-dimethyl-phenyl)-tris(fluoranyl)-$l^{4}-sulfane
MOLECULAR FORMULA: C12H17F3S
MOLECULAR WEIGHT: 250.32359
SMILES: CC1=CC(=CC(=C1S(F)(F)F)C)C(C)(C)C

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