Tuesday, September 25, 2012

http://ChemLookup.com Compounds




CAS RN: 18514-31-3
CAS Name: 1-[3-(1-naphthalenyl)-5-(1-piperidinyl)pentyl]piperidine
OPENEYE Name: 1-[3-(1-naphthyl)-5-(1-piperidyl)pentyl]piperidine
IUPAC Name: 1-(3-naphthalen-1-yl-5-piperidin-1-ylpentyl)piperidine
SYSTEMATIC NAME: 1-(3-naphthalen-1-yl-5-piperidin-1-yl-pentyl)piperidine
MOLECULAR FORMULA: C25H36N2
MOLECULAR WEIGHT: 364.56674
SMILES: C1CCN(CC1)CCC(CCN2CCCCC2)C3=CC=CC4=CC=CC=C43
Structure:

CAS RN: 18514-30-2
CAS Name: 4-[4-methyl-3-(1-naphthalenyl)hexyl]morpholine
OPENEYE Name: 4-[4-methyl-3-(1-naphthyl)hexyl]morpholine
IUPAC Name: 4-(4-methyl-3-naphthalen-1-ylhexyl)morpholine
SYSTEMATIC NAME: 4-(4-methyl-3-naphthalen-1-yl-hexyl)morpholine
MOLECULAR FORMULA: C21H29NO
MOLECULAR WEIGHT: 311.46106
SMILES: CCC(C)C(CCN1CCOCC1)C2=CC=CC3=CC=CC=C32
Structure:

CAS RN: 18514-29-9
CAS Name: 4-[5-(4-morpholinyl)-3-(1-naphthalenyl)pentyl]morpholine dihydrochloride
OPENEYE Name: 4-[5-morpholino-3-(1-naphthyl)pentyl]morpholine dihydrochloride
IUPAC Name: 4-(5-morpholin-4-yl-3-naphthalen-1-ylpentyl)morpholine dihydrochloride
SYSTEMATIC NAME: 4-(5-morpholin-4-yl-3-naphthalen-1-yl-pentyl)morpholine dihydrochloride
MOLECULAR FORMULA: C23H34Cl2N2O2
MOLECULAR WEIGHT: 441.43426
SMILES: C1COCCN1CCC(CCN2CCOCC2)C3=CC=CC4=CC=CC=C43.Cl.Cl
Structure:

CAS RN: 18514-28-8
CAS Name: 4-[3-(1-naphthalenyl)propyl]morpholine hydrochloride
OPENEYE Name: 4-[3-(1-naphthyl)propyl]morpholine hydrochloride
IUPAC Name: 4-(3-naphthalen-1-ylpropyl)morpholine hydrochloride
SYSTEMATIC NAME: 4-(3-naphthalen-1-ylpropyl)morpholine hydrochloride
MOLECULAR FORMULA: C17H22ClNO
MOLECULAR WEIGHT: 291.81568
SMILES: C1COCCN1CCCC2=CC=CC3=CC=CC=C32.Cl
Structure:

CAS RN: 18513-77-4
CAS Name: 1,2,3,6-tetrahydropyridine-5-carboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 1,2,3,6-tetrahydropyridine-5-carboxylate hydrochloride
IUPAC Name: ethyl 1,2,3,6-tetrahydropyridine-5-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 1,2,3,6-tetrahydropyridine-5-carboxylate hydrochloride
MOLECULAR FORMULA: C8H14ClNO2
MOLECULAR WEIGHT: 191.65526
SMILES: CCOC(=O)C1=CCCNC1.Cl
Structure:

CAS RN: 18507-30-7
CAS Name: 4,5-diphenyl-2-(1-pyrrolidinyl)oxazole
OPENEYE Name: 4,5-diphenyl-2-pyrrolidin-1-yl-oxazole
IUPAC Name: 4,5-diphenyl-2-pyrrolidin-1-yl-1,3-oxazole
SYSTEMATIC NAME: 4,5-diphenyl-2-pyrrolidin-1-yl-1,3-oxazole
MOLECULAR FORMULA: C19H18N2O
MOLECULAR WEIGHT: 290.35902
SMILES: C1CCN(C1)C2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:

CAS RN: 18507-23-8
CAS Name: N-propan-2-yl-4-propan-2-ylsulfonylbenzamide
OPENEYE Name: N-isopropyl-4-isopropylsulfonyl-benzamide
IUPAC Name: N-propan-2-yl-4-propan-2-ylsulfonylbenzamide
SYSTEMATIC NAME: N-propan-2-yl-4-propan-2-ylsulfonyl-benzamide
MOLECULAR FORMULA: C13H19NO3S
MOLECULAR WEIGHT: 269.35986
SMILES: CC(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)C(C)C
Structure:

CAS RN: 18507-19-2
CAS Name: 2-oxo-4H-1,3-benzoxazine-3-carboxamide
OPENEYE Name: 2-oxo-4H-1,3-benzoxazine-3-carboxamide
IUPAC Name: 2-oxo-4H-1,3-benzoxazine-3-carboxamide
SYSTEMATIC NAME: 2-oxidanylidene-4H-1,3-benzoxazine-3-carboxamide
MOLECULAR FORMULA: C9H8N2O3
MOLECULAR WEIGHT: 192.17142
SMILES: C1C2=CC=CC=C2OC(=O)N1C(=O)N
Structure:

CAS RN: 18504-25-1
CAS Name: 1-[2-(2-chloroethoxy)ethyl]-2-methyl-4-nitroimidazole
OPENEYE Name: 1-[2-(2-chloroethoxy)ethyl]-2-methyl-4-nitro-imidazole
IUPAC Name: 1-[2-(2-chloroethoxy)ethyl]-2-methyl-4-nitroimidazole
SYSTEMATIC NAME: 1-[2-(2-chloroethyloxy)ethyl]-2-methyl-4-nitro-imidazole
MOLECULAR FORMULA: C8H12ClN3O3
MOLECULAR WEIGHT: 233.65218
SMILES: CC1=NC(=CN1CCOCCCl)[N+](=O)[O-]
Structure:

CAS RN: 18498-23-2
CAS Name: hexadecanoic acid 4-hydroxybutyl ester
OPENEYE Name: 4-hydroxybutyl hexadecanoate
IUPAC Name: 4-hydroxybutyl hexadecanoate
SYSTEMATIC NAME: 4-oxidanylbutyl hexadecanoate
MOLECULAR FORMULA: C20H40O3
MOLECULAR WEIGHT: 328.5298
SMILES: CCCCCCCCCCCCCCCC(=O)OCCCCO
Structure:

CAS RN: 18494-44-5
CAS Name: N-[2-(dimethylamino)ethyl]-2-hydroxy-2,2-diphenylacetamide hydrochloride
OPENEYE Name: N-[2-(dimethylamino)ethyl]-2-hydroxy-2,2-diphenyl-acetamide hydrochloride
IUPAC Name: N-[2-(dimethylamino)ethyl]-2-hydroxy-2,2-diphenylacetamide hydrochloride
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-2-oxidanyl-2,2-diphenyl-ethanamide hydrochloride
MOLECULAR FORMULA: C18H23ClN2O2
MOLECULAR WEIGHT: 334.84042
SMILES: CN(C)CCNC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl
Structure:

CAS RN: 18493-21-5
CAS Name: N-methylcarbamic acid [2-(4,4-dimethyl-1,3-dioxolan-2-yl)phenyl] ester
OPENEYE Name: [2-(4,4-dimethyl-1,3-dioxolan-2-yl)phenyl] N-methylcarbamate
IUPAC Name: [2-(4,4-dimethyl-1,3-dioxolan-2-yl)phenyl] N-methylcarbamate
SYSTEMATIC NAME: [2-(4,4-dimethyl-1,3-dioxolan-2-yl)phenyl] N-methylcarbamate
MOLECULAR FORMULA: C13H17NO4
MOLECULAR WEIGHT: 251.27838
SMILES: CC1(COC(O1)C2=CC=CC=C2OC(=O)NC)C
Structure:

CAS RN: 18472-23-6
CAS Name: 2-[(4-oxo-3-phenyl-2-pyrazino[1,2-a]pyrimidinyl)oxy]propanoic acid ethyl ester
OPENEYE Name: ethyl 2-(4-oxo-3-phenyl-pyrazino[1,2-a]pyrimidin-2-yl)oxypropanoate
IUPAC Name: ethyl 2-(4-oxo-3-phenylpyrazino[1,2-a]pyrimidin-2-yl)oxypropanoate
SYSTEMATIC NAME: ethyl 2-(4-oxidanylidene-3-phenyl-pyrazino[1,2-a]pyrimidin-2-yl)oxypropanoate
MOLECULAR FORMULA: C18H17N3O4
MOLECULAR WEIGHT: 339.34528
SMILES: CCOC(=O)C(C)OC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=CC=C3
Structure:

CAS RN: 18472-16-7
CAS Name: 4-hydroxy-3-phenyl-2-pyrazino[1,2-a]pyrimidinone
OPENEYE Name: 4-hydroxy-3-phenyl-pyrazino[1,2-a]pyrimidin-2-one
IUPAC Name: 4-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-2-one
SYSTEMATIC NAME: 4-oxidanyl-3-phenyl-pyrazino[1,2-a]pyrimidin-2-one
MOLECULAR FORMULA: C13H9N3O2
MOLECULAR WEIGHT: 239.22946
SMILES: C1=CC=C(C=C1)C2=C(N3C=CN=CC3=NC2=O)O
Structure:

CAS RN: 18472-01-0
CAS Name: 7-nitro-8-quinolinol
OPENEYE Name: 7-nitroquinolin-8-ol
IUPAC Name: 7-nitroquinolin-8-ol
SYSTEMATIC NAME: 7-nitroquinolin-8-ol
MOLECULAR FORMULA: C9H6N2O3
MOLECULAR WEIGHT: 190.15554
SMILES: C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])O)N=C1
Structure:

CAS RN: 18471-34-6
CAS Name: 1-(3-pyrrolidinyl)-3-(3,4,5-trimethoxyphenyl)urea
OPENEYE Name: 1-pyrrolidin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
IUPAC Name: 1-pyrrolidin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
SYSTEMATIC NAME: 1-pyrrolidin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
MOLECULAR FORMULA: C14H21N3O4
MOLECULAR WEIGHT: 295.33424
SMILES: COC1=CC(=CC(=C1OC)OC)NC(=O)NC2CCNC2
Structure:

CAS RN: 18471-33-5
CAS Name: (1-cyclohexyl-3-pyrrolidinyl)urea
OPENEYE Name: (1-cyclohexylpyrrolidin-3-yl)urea
IUPAC Name: (1-cyclohexylpyrrolidin-3-yl)urea
SYSTEMATIC NAME: 1-(1-cyclohexylpyrrolidin-3-yl)urea
MOLECULAR FORMULA: C11H21N3O
MOLECULAR WEIGHT: 211.30394
SMILES: C1CCC(CC1)N2CCC(C2)NC(=O)N
Structure:

CAS RN: 18471-31-3
CAS Name: 1-(4-methoxyphenyl)-3-(3-pyrrolidinyl)urea
OPENEYE Name: 1-(4-methoxyphenyl)-3-pyrrolidin-3-yl-urea
IUPAC Name: 1-(4-methoxyphenyl)-3-pyrrolidin-3-ylurea
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-3-pyrrolidin-3-yl-urea
MOLECULAR FORMULA: C12H17N3O2
MOLECULAR WEIGHT: 235.28228
SMILES: COC1=CC=C(C=C1)NC(=O)NC2CCNC2
Structure:

CAS RN: 18471-30-2
CAS Name: 1-(1-ethyl-3-pyrrolidinyl)-3-(4-methoxyphenyl)urea
OPENEYE Name: 1-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenyl)urea
IUPAC Name: 1-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenyl)urea
SYSTEMATIC NAME: 1-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenyl)urea
MOLECULAR FORMULA: C14H21N3O2
MOLECULAR WEIGHT: 263.33544
SMILES: CCN1CCC(C1)NC(=O)NC2=CC=C(C=C2)OC
Structure:

CAS RN: 18470-10-5
CAS Name: dimethoxy-sulfanylidene-[(2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]phosphorane
OPENEYE Name: dimethoxy-thioxo-(1,3,3-trimethylnorbornan-2-yl)oxy-$l^{5}-phosphane
IUPAC Name: dimethoxy-sulfanylidene-[(2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]-$l^{5}-phosphane
SYSTEMATIC NAME: dimethoxy-sulfanylidene-[(2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]-$l^{5}-phosphane
MOLECULAR FORMULA: C12H23O3PS
MOLECULAR WEIGHT: 278.347981
SMILES: CC1(C2CCC(C2)(C1OP(=S)(OC)OC)C)C
Structure:

CAS RN: 18470-09-2
CAS Name: dimethoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidenephosphorane
OPENEYE Name: (2-isopropyl-5-methyl-cyclohexoxy)-dimethoxy-thioxo-$l^{5}-phosphane
IUPAC Name: dimethoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: dimethoxy-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C12H25O3PS
MOLECULAR WEIGHT: 280.363861
SMILES: CC1CCC(C(C1)OP(=S)(OC)OC)C(C)C
Structure:

CAS RN: 18470-08-1
CAS Name: dimethoxy-[1-methyl-4-(1-methylethenyl)cyclohexyl]oxy-sulfanylidenephosphorane
OPENEYE Name: (4-isopropenyl-1-methyl-cyclohexoxy)-dimethoxy-thioxo-$l^{5}-phosphane
IUPAC Name: dimethoxy-(1-methyl-4-prop-1-en-2-ylcyclohexyl)oxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: dimethoxy-(1-methyl-4-prop-1-en-2-yl-cyclohexyl)oxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C12H23O3PS
MOLECULAR WEIGHT: 278.347981
SMILES: CC(=C)C1CCC(CC1)(C)OP(=S)(OC)OC
Structure:

CAS RN: 18470-07-0
CAS Name: dimethoxy-[2-(4-methyl-1-cyclohex-3-enyl)propan-2-yloxy]-sulfanylidenephosphorane
OPENEYE Name: dimethoxy-[1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethoxy]-thioxo-$l^{5}-phosphane
IUPAC Name: dimethoxy-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: dimethoxy-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C12H23O3PS
MOLECULAR WEIGHT: 278.347981
SMILES: CC1=CCC(CC1)C(C)(C)OP(=S)(OC)OC
Structure:

CAS RN: 18464-55-6
CAS Name: 2-[4-(diethylamino)phenyl]-N-(1-phenylpropan-2-yl)acetamide
OPENEYE Name: 2-[4-(diethylamino)phenyl]-N-(1-methyl-2-phenyl-ethyl)acetamide
IUPAC Name: 2-[4-(diethylamino)phenyl]-N-(1-phenylpropan-2-yl)acetamide
SYSTEMATIC NAME: 2-[4-(diethylamino)phenyl]-N-(1-phenylpropan-2-yl)ethanamide
MOLECULAR FORMULA: C21H28N2O
MOLECULAR WEIGHT: 324.45982
SMILES: CCN(CC)C1=CC=C(C=C1)CC(=O)NC(C)CC2=CC=CC=C2
Structure:

CAS RN: 18464-49-8
CAS Name: 2-(4-ethyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide
OPENEYE Name: 2-(4-ethyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide
IUPAC Name: 2-(4-ethyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide
SYSTEMATIC NAME: 2-(4-ethyl-2-oxidanylidene-4H-1,3-benzoxazin-3-yl)ethanamide
MOLECULAR FORMULA: C12H14N2O3
MOLECULAR WEIGHT: 234.25116
SMILES: CCC1C2=CC=CC=C2OC(=O)N1CC(=O)N
Structure:

CAS RN: 18464-45-4
CAS Name: 2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetonitrile
OPENEYE Name: 2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetonitrile
IUPAC Name: 2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(2-oxidanylidene-4H-1,3-benzoxazin-3-yl)ethanenitrile
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C1C2=CC=CC=C2OC(=O)N1CC#N
Structure:

CAS RN: 18464-44-3
CAS Name: 2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetohydrazide
OPENEYE Name: 2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetohydrazide
IUPAC Name: 2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetohydrazide
SYSTEMATIC NAME: 2-(2-oxidanylidene-4H-1,3-benzoxazin-3-yl)ethanehydrazide
MOLECULAR FORMULA: C10H11N3O3
MOLECULAR WEIGHT: 221.21264
SMILES: C1C2=CC=CC=C2OC(=O)N1CC(=O)NN
Structure:

CAS RN: 18464-42-1
CAS Name: N-butyl-2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetamide
OPENEYE Name: N-butyl-2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetamide
IUPAC Name: N-butyl-2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetamide
SYSTEMATIC NAME: N-butyl-2-(2-oxidanylidene-4H-1,3-benzoxazin-3-yl)ethanamide
MOLECULAR FORMULA: C14H18N2O3
MOLECULAR WEIGHT: 262.30432
SMILES: CCCCNC(=O)CN1CC2=CC=CC=C2OC1=O
Structure:

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