Monday, June 27, 2011

http://ChemLookup.com Compounds




CAS RN: 165894-01-9
CAS Name: 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole dihydrochloride
OPENEYE Name: 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole dihydrochloride
IUPAC Name: 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole dihydrochloride
SYSTEMATIC NAME: 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole dihydrochloride
MOLECULAR FORMULA: C6H14Cl2N2
MOLECULAR WEIGHT: 185.09476
SMILES: C1C2CNCC2CN1.Cl.Cl

CAS RN: 90224-71-8
CAS Name: 8-bromo-1H-quinolin-7-one
OPENEYE Name: 8-bromo-1H-quinolin-7-one
IUPAC Name: 8-bromo-1H-quinolin-7-one
SYSTEMATIC NAME: 8-bromanyl-1H-quinolin-7-one
MOLECULAR FORMULA: C9H6BrNO
MOLECULAR WEIGHT: 224.05404
SMILES: C1=CNC2=C(C(=O)C=CC2=C1)Br

CAS RN: 36023-06-0
CAS Name: 8-bromo-1H-quinolin-7-one
OPENEYE Name: 8-bromo-1H-quinolin-7-one
IUPAC Name: 8-bromo-1H-quinolin-7-one
SYSTEMATIC NAME: 8-bromanyl-1H-quinolin-7-one
MOLECULAR FORMULA: C9H6BrNO
MOLECULAR WEIGHT: 224.05404
SMILES: C1=CNC2=C(C(=O)C=CC2=C1)Br

CAS RN: 1187932-09-7
CAS Name: 2-amino-1H-pyridin-4-one hydrochloride
OPENEYE Name: 2-amino-1H-pyridin-4-one hydrochloride
IUPAC Name: 2-amino-1H-pyridin-4-one hydrochloride
SYSTEMATIC NAME: 2-azanyl-1H-pyridin-4-one hydrochloride
MOLECULAR FORMULA: C5H7ClN2O
MOLECULAR WEIGHT: 146.57488
SMILES: C1=CNC(=CC1=O)N.Cl

CAS RN: 923009-50-1
CAS Name: 4-oxo-3,9-diazaspiro[4.5]decane-9-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-oxo-3,9-diazaspiro[4.5]decane-9-carboxylate
IUPAC Name: tert-butyl 4-oxo-3,9-diazaspiro[4.5]decane-9-carboxylate
SYSTEMATIC NAME: tert-butyl 4-oxidanylidene-3,9-diazaspiro[4.5]decane-9-carboxylate
MOLECULAR FORMULA: C13H22N2O3
MOLECULAR WEIGHT: 254.32538
SMILES: CC(C)(C)OC(=O)N1CCCC2(C1)CCNC2=O

CAS RN: 180160-93-4
CAS Name: 5-chlorospiro[1H-isobenzofuran-3,4'-piperidine]
OPENEYE Name: 5-chlorospiro[1H-isobenzofuran-3,4'-piperidine]
IUPAC Name: 5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]
SYSTEMATIC NAME: 5-chloranylspiro[1H-2-benzofuran-3,4'-piperidine]
MOLECULAR FORMULA: C12H14ClNO
MOLECULAR WEIGHT: 223.69866
SMILES: C1CNCCC12C3=C(CO2)C=CC(=C3)Cl

CAS RN: 180160-40-1
CAS Name: 5-chloro-1-spiro[isobenzofuran-3,4'-piperidine]one
OPENEYE Name: 5-chlorospiro[isobenzofuran-3,4'-piperidine]-1-one
IUPAC Name: 5-chlorospiro[2-benzofuran-3,4'-piperidine]-1-one
SYSTEMATIC NAME: 5-chloranylspiro[2-benzofuran-3,4'-piperidine]-1-one
MOLECULAR FORMULA: C12H12ClNO2
MOLECULAR WEIGHT: 237.68218
SMILES: C1CNCCC12C3=C(C=CC(=C3)Cl)C(=O)O2

CAS RN: 1123242-53-4
CAS Name: 8-(phenylmethyl)-3,8-diazaspiro[4.5]decan-4-one
OPENEYE Name: 8-benzyl-3,8-diazaspiro[4.5]decan-4-one
IUPAC Name: 8-benzyl-3,8-diazaspiro[4.5]decan-4-one
SYSTEMATIC NAME: 8-(phenylmethyl)-3,8-diazaspiro[4.5]decan-4-one
MOLECULAR FORMULA: C15H20N2O
MOLECULAR WEIGHT: 244.3321
SMILES: C1CNC(=O)C12CCN(CC2)CC3=CC=CC=C3

CAS RN: 1086395-71-2
CAS Name: 3-(phenylmethyl)-3,9-diazaspiro[4.5]decane
OPENEYE Name: 3-benzyl-3,9-diazaspiro[4.5]decane
IUPAC Name: 3-benzyl-3,9-diazaspiro[4.5]decane
SYSTEMATIC NAME: 3-(phenylmethyl)-3,9-diazaspiro[4.5]decane
MOLECULAR FORMULA: C15H22N2
MOLECULAR WEIGHT: 230.34858
SMILES: C1CC2(CCN(C2)CC3=CC=CC=C3)CNC1

CAS RN: 38154-42-6
CAS Name: 4-chloro-2-propan-2-ylquinazoline
OPENEYE Name: 4-chloro-2-isopropyl-quinazoline
IUPAC Name: 4-chloro-2-propan-2-ylquinazoline
SYSTEMATIC NAME: 4-chloranyl-2-propan-2-yl-quinazoline
MOLECULAR FORMULA: C11H11ClN2
MOLECULAR WEIGHT: 206.67144
SMILES: CC(C)C1=NC2=CC=CC=C2C(=N1)Cl

CAS RN: 194473-03-5
CAS Name: 7-fluoro-2-methyl-1H-quinazolin-4-one
OPENEYE Name: 7-fluoro-2-methyl-1H-quinazolin-4-one
IUPAC Name: 7-fluoro-2-methyl-1H-quinazolin-4-one
SYSTEMATIC NAME: 7-fluoranyl-2-methyl-1H-quinazolin-4-one
MOLECULAR FORMULA: C9H7FN2O
MOLECULAR WEIGHT: 178.163083
SMILES: CC1=NC(=O)C2=C(N1)C=C(C=C2)F

CAS RN: 1206694-32-7
CAS Name: 4-chloro-7-fluoro-2-methylquinazoline
OPENEYE Name: 4-chloro-7-fluoro-2-methyl-quinazoline
IUPAC Name: 4-chloro-7-fluoro-2-methylquinazoline
SYSTEMATIC NAME: 4-chloranyl-7-fluoranyl-2-methyl-quinazoline
MOLECULAR FORMULA: C9H6ClFN2
MOLECULAR WEIGHT: 196.608743
SMILES: CC1=NC2=C(C=CC(=C2)F)C(=N1)Cl

CAS RN: 914773-13-0
CAS Name: 5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxylate
IUPAC Name: ethyl 5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxylate
MOLECULAR FORMULA: C6H5F3N2O3
MOLECULAR WEIGHT: 210.11071
SMILES: CCOC(=O)C1=NOC(=N1)C(F)(F)F

CAS RN: 890840-90-1
CAS Name: 7,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 7,8-difluorochroman-4-one
IUPAC Name: 7,8-difluoro-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 7,8-bis(fluoranyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C9H6F2O2
MOLECULAR WEIGHT: 184.139546
SMILES: C1COC2=C(C1=O)C=CC(=C2F)F

CAS RN: 844648-22-2
CAS Name: 5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 5,7-difluorochroman-4-one
IUPAC Name: 5,7-difluoro-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 5,7-bis(fluoranyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C9H6F2O2
MOLECULAR WEIGHT: 184.139546
SMILES: C1COC2=CC(=CC(=C2C1=O)F)F

CAS RN: 251958-52-8
CAS Name: 2-[2-(3a,7a-dihydro-1,3-benzodioxol-5-yl)propan-2-yl]-1,3,4-oxadiazole
OPENEYE Name: 2-[1-(3a,7a-dihydro-1,3-benzodioxol-5-yl)-1-methyl-ethyl]-1,3,4-oxadiazole
IUPAC Name: 2-[2-(3a,7a-dihydro-1,3-benzodioxol-5-yl)propan-2-yl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[2-(3a,7a-dihydro-1,3-benzodioxol-5-yl)propan-2-yl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C12H14N2O3
MOLECULAR WEIGHT: 234.25116
SMILES: CC(C)(C1=CC2C(C=C1)OCO2)C3=NN=CO3

CAS RN: 164029-34-9
CAS Name: 5-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,2,4-oxadiazole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-[[tert-butoxy(formyl)amino]methyl]-1,2,4-oxadiazole-3-carboxylate
IUPAC Name: ethyl 5-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,2,4-oxadiazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-[[methanoyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,2,4-oxadiazole-3-carboxylate
MOLECULAR FORMULA: C11H17N3O5
MOLECULAR WEIGHT: 271.26978
SMILES: CCOC(=O)C1=NOC(=N1)CN(C=O)OC(C)(C)C

CAS RN: 950645-15-5
CAS Name: 5-methyl-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 5-methylchroman-4-amine
IUPAC Name: 5-methyl-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 5-methyl-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CC1=C2C(CCOC2=CC=C1)N

CAS RN: 769100-49-4
CAS Name: 5-methyl-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 5-methylchroman-4-amine
IUPAC Name: 5-methyl-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 5-methyl-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CC1=C2C(CCOC2=CC=C1)N

CAS RN: 1213506-92-3
CAS Name: 5-methyl-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 5-methylchroman-4-amine
IUPAC Name: 5-methyl-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 5-methyl-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CC1=C2C(CCOC2=CC=C1)N

CAS RN: 886762-83-0
CAS Name: 7,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 7,8-difluorochroman-4-amine
IUPAC Name: 7,8-difluoro-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 7,8-bis(fluoranyl)-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C9H9F2NO
MOLECULAR WEIGHT: 185.170666
SMILES: C1COC2=C(C1N)C=CC(=C2F)F

CAS RN: 1213550-52-7
CAS Name: 7,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 7,8-difluorochroman-4-amine
IUPAC Name: 7,8-difluoro-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 7,8-bis(fluoranyl)-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C9H9F2NO
MOLECULAR WEIGHT: 185.170666
SMILES: C1COC2=C(C1N)C=CC(=C2F)F

CAS RN: 1213161-36-4
CAS Name: 7,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 7,8-difluorochroman-4-amine
IUPAC Name: 7,8-difluoro-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 7,8-bis(fluoranyl)-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C9H9F2NO
MOLECULAR WEIGHT: 185.170666
SMILES: C1COC2=C(C1N)C=CC(=C2F)F

CAS RN: 886762-87-4
CAS Name: 5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 5,7-difluorochroman-4-amine
IUPAC Name: 5,7-difluoro-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 5,7-bis(fluoranyl)-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C9H9F2NO
MOLECULAR WEIGHT: 185.170666
SMILES: C1COC2=CC(=CC(=C2C1N)F)F

CAS RN: 1212993-64-0
CAS Name: 5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 5,7-difluorochroman-4-amine
IUPAC Name: 5,7-difluoro-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 5,7-bis(fluoranyl)-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C9H9F2NO
MOLECULAR WEIGHT: 185.170666
SMILES: C1COC2=CC(=CC(=C2C1N)F)F

CAS RN: 704208-25-3
CAS Name: 7-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 7-(trifluoromethyl)chroman-4-amine
IUPAC Name: 7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C10H10F3NO
MOLECULAR WEIGHT: 217.18771
SMILES: C1COC2=C(C1N)C=CC(=C2)C(F)(F)F

CAS RN: 1213657-96-5
CAS Name: 7-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 7-(trifluoromethyl)chroman-4-amine
IUPAC Name: 7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C10H10F3NO
MOLECULAR WEIGHT: 217.18771
SMILES: C1COC2=C(C1N)C=CC(=C2)C(F)(F)F

CAS RN: 1140496-05-4
CAS Name: 7-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 7-(trifluoromethyl)chroman-4-amine
IUPAC Name: 7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C10H10F3NO
MOLECULAR WEIGHT: 217.18771
SMILES: C1COC2=C(C1N)C=CC(=C2)C(F)(F)F

CAS RN: 911826-11-4
CAS Name: 7-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 7-fluorochroman-4-amine
IUPAC Name: 7-fluoro-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 7-fluoranyl-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C9H10FNO
MOLECULAR WEIGHT: 167.180203
SMILES: C1COC2=C(C1N)C=CC(=C2)F

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