Sunday, September 23, 2012

http://ChemLookup.com Compounds




CAS RN: 29218-20-0
CAS Name: carbamic acid [2-oxo-3-[3-(trifluoromethyl)phenyl]-5-oxazolidinyl]methyl ester
OPENEYE Name: [2-oxo-3-[3-(trifluoromethyl)phenyl]oxazolidin-5-yl]methyl carbamate
IUPAC Name: [2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl carbamate
SYSTEMATIC NAME: [2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl carbamate
MOLECULAR FORMULA: C12H11F3N2O4
MOLECULAR WEIGHT: 304.22195
SMILES: C1C(OC(=O)N1C2=CC=CC(=C2)C(F)(F)F)COC(=O)N
Structure:

CAS RN: 29218-19-7
CAS Name: 5-(hydroxymethyl)-3-[3-(trifluoromethyl)phenyl]-2-oxazolidinone
OPENEYE Name: 5-(hydroxymethyl)-3-[3-(trifluoromethyl)phenyl]oxazolidin-2-one
IUPAC Name: 5-(hydroxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-(hydroxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C11H10F3NO3
MOLECULAR WEIGHT: 261.19721
SMILES: C1C(OC(=O)N1C2=CC=CC(=C2)C(F)(F)F)CO
Structure:

CAS RN: 29216-89-5
CAS Name: N-carbamoyl-3-methylbenzamide
OPENEYE Name: N-carbamoyl-3-methyl-benzamide
IUPAC Name: N-carbamoyl-3-methylbenzamide
SYSTEMATIC NAME: N-aminocarbonyl-3-methyl-benzamide
MOLECULAR FORMULA: C9H10N2O2
MOLECULAR WEIGHT: 178.1879
SMILES: CC1=CC=CC(=C1)C(=O)NC(=O)N
Structure:

CAS RN: 29214-99-1
CAS Name: 2-[2-(dimethylamino)ethoxy-phenylmethyl]benzoic acid
OPENEYE Name: 2-[2-(dimethylamino)ethoxy-phenyl-methyl]benzoic acid
IUPAC Name: 2-[2-(dimethylamino)ethoxy-phenylmethyl]benzoic acid
SYSTEMATIC NAME: 2-[2-(dimethylamino)ethoxy-phenyl-methyl]benzoic acid
MOLECULAR FORMULA: C18H21NO3
MOLECULAR WEIGHT: 299.36424
SMILES: CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2C(=O)O
Structure:

CAS RN: 29214-97-9
CAS Name: 4-[2-(dimethylamino)ethoxy-(2-methylphenyl)methyl]phenol
OPENEYE Name: 4-[2-(dimethylamino)ethoxy-(o-tolyl)methyl]phenol
IUPAC Name: 4-[2-(dimethylamino)ethoxy-(2-methylphenyl)methyl]phenol
SYSTEMATIC NAME: 4-[2-(dimethylamino)ethoxy-(2-methylphenyl)methyl]phenol
MOLECULAR FORMULA: C18H23NO2
MOLECULAR WEIGHT: 285.38072
SMILES: CC1=CC=CC=C1C(C2=CC=C(C=C2)O)OCCN(C)C
Structure:

CAS RN: 29205-72-9
CAS Name: 3-(3-aminopropyldisulfanyl)-1-propanamine dihydrochloride
OPENEYE Name: 3-(3-aminopropyldisulfanyl)propan-1-amine dihydrochloride
IUPAC Name: 3-(3-aminopropyldisulfanyl)propan-1-amine dihydrochloride
SYSTEMATIC NAME: 3-(3-azanylpropyldisulfanyl)propan-1-amine dihydrochloride
MOLECULAR FORMULA: C6H18Cl2N2S2
MOLECULAR WEIGHT: 253.25652
SMILES: C(CN)CSSCCCN.Cl.Cl
Structure:

CAS RN: 29200-59-7
CAS Name: 3-methyl-1-(2-methylpropyl)piperazine; 2-methyl-4-(2-methylpropyl)-1-piperazinecarbodithioic acid
OPENEYE Name: 1-isobutyl-3-methyl-piperazine; 4-isobutyl-2-methyl-piperazine-1-carbodithioic acid
IUPAC Name: 3-methyl-1-(2-methylpropyl)piperazine; 2-methyl-4-(2-methylpropyl)piperazine-1-carbodithioic acid
SYSTEMATIC NAME: 3-methyl-1-(2-methylpropyl)piperazine; 2-methyl-4-(2-methylpropyl)piperazine-1-carbodithioic acid
MOLECULAR FORMULA: C19H40N4S2
MOLECULAR WEIGHT: 388.6777
SMILES: CC1CN(CCN1)CC(C)C.CC1CN(CCN1C(=S)S)CC(C)C
Structure:

CAS RN: 29188-52-1
CAS Name: N,N-diethyl-2-[6-methoxy-2-(phenylmethyl)-3H-inden-1-yl]ethanamine; oxalic acid
OPENEYE Name: 2-(2-benzyl-6-methoxy-3H-inden-1-yl)-N,N-diethyl-ethanamine; oxalic acid
IUPAC Name: 2-(2-benzyl-6-methoxy-3H-inden-1-yl)-N,N-diethylethanamine; oxalic acid
SYSTEMATIC NAME: N,N-diethyl-2-[6-methoxy-2-(phenylmethyl)-3H-inden-1-yl]ethanamine; ethanedioic acid
MOLECULAR FORMULA: C25H31NO5
MOLECULAR WEIGHT: 425.51734
SMILES: CCN(CC)CCC1=C(CC2=C1C=C(C=C2)OC)CC3=CC=CC=C3.C(=O)(C(=O)O)O
Structure:

CAS RN: 29175-70-0
CAS Name: 4-[(2,6-dimethoxyphenyl)methyl]morpholine; 2,4,6-trinitrophenol
OPENEYE Name: 4-[(2,6-dimethoxyphenyl)methyl]morpholine; picric acid
IUPAC Name: 4-[(2,6-dimethoxyphenyl)methyl]morpholine; 2,4,6-trinitrophenol
SYSTEMATIC NAME: 4-[(2,6-dimethoxyphenyl)methyl]morpholine; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C19H22N4O10
MOLECULAR WEIGHT: 466.39878
SMILES: COC1=C(C(=CC=C1)OC)CN2CCOCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 29175-54-0
CAS Name: 4-[(2-methoxyphenyl)methyl]morpholine
OPENEYE Name: 4-[(2-methoxyphenyl)methyl]morpholine
IUPAC Name: 4-[(2-methoxyphenyl)methyl]morpholine
SYSTEMATIC NAME: 4-[(2-methoxyphenyl)methyl]morpholine
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: COC1=CC=CC=C1CN2CCOCC2
Structure:

CAS RN: 29175-53-9
CAS Name: 1-[(2-methoxyphenyl)methyl]piperidine
OPENEYE Name: 1-[(2-methoxyphenyl)methyl]piperidine
IUPAC Name: 1-[(2-methoxyphenyl)methyl]piperidine
SYSTEMATIC NAME: 1-[(2-methoxyphenyl)methyl]piperidine
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: COC1=CC=CC=C1CN2CCCCC2
Structure:

CAS RN: 29146-21-2
CAS Name: 1-(4-methylphenyl)-3-(4-phenyl-1-piperazinyl)-1-propanone
OPENEYE Name: 3-(4-phenylpiperazin-1-yl)-1-(p-tolyl)propan-1-one
IUPAC Name: 1-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
SYSTEMATIC NAME: 1-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
MOLECULAR FORMULA: C20H24N2O
MOLECULAR WEIGHT: 308.41736
SMILES: CC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)C3=CC=CC=C3
Structure:

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