Tuesday, June 28, 2011

http://ChemLookup.com Compounds




CAS RN: 1072944-99-0
CAS Name: N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]carbamate
IUPAC Name: tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
MOLECULAR FORMULA: C16H25BN2O4
MOLECULAR WEIGHT: 320.1917
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)NC(=O)OC(C)(C)C

CAS RN: 529510-32-5
CAS Name: 5-(chloromethyl)-3-(3-methylbutyl)-1,2,4-oxadiazole
OPENEYE Name: 5-(chloromethyl)-3-isopentyl-1,2,4-oxadiazole
IUPAC Name: 5-(chloromethyl)-3-(3-methylbutyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(chloromethyl)-3-(3-methylbutyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C8H13ClN2O
MOLECULAR WEIGHT: 188.65462
SMILES: CC(C)CCC1=NOC(=N1)CCl

CAS RN: 1209200-59-8
CAS Name: 5-(chloromethyl)-3-(3-methylbutyl)-1,2,4-oxadiazole
OPENEYE Name: 5-(chloromethyl)-3-isopentyl-1,2,4-oxadiazole
IUPAC Name: 5-(chloromethyl)-3-(3-methylbutyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(chloromethyl)-3-(3-methylbutyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C8H13ClN2O
MOLECULAR WEIGHT: 188.65462
SMILES: CC(C)CCC1=NOC(=N1)CCl

CAS RN: 1172489-30-3
CAS Name: cyclopentylmethylhydrazine hydrochloride
OPENEYE Name: cyclopentylmethylhydrazine hydrochloride
IUPAC Name: cyclopentylmethylhydrazine hydrochloride
SYSTEMATIC NAME: cyclopentylmethyldiazane hydrochloride
MOLECULAR FORMULA: C6H15ClN2
MOLECULAR WEIGHT: 150.6497
SMILES: C1CCC(C1)CNN.Cl

CAS RN: 720706-09-2
CAS Name: N'-hydroxy-2-(4-morpholinyl)propanimidamide
OPENEYE Name: N'-hydroxy-2-morpholino-propanamidine
IUPAC Name: N'-hydroxy-2-morpholin-4-ylpropanimidamide
SYSTEMATIC NAME: 2-morpholin-4-yl-N'-oxidanyl-propanimidamide
MOLECULAR FORMULA: C7H15N3O2
MOLECULAR WEIGHT: 173.2129
SMILES: CC(/C(=N/O)/N)N1CCOCC1

CAS RN: 119329-48-5
CAS Name: 3-amino-1-methyl-2-pyrrolidinone
OPENEYE Name: 3-amino-1-methyl-pyrrolidin-2-one
IUPAC Name: 3-amino-1-methylpyrrolidin-2-one
SYSTEMATIC NAME: 3-azanyl-1-methyl-pyrrolidin-2-one
MOLECULAR FORMULA: C5H10N2O
MOLECULAR WEIGHT: 114.1457
SMILES: CN1CCC(C1=O)N

CAS RN: 858783-30-9
CAS Name: 4-amino-3,4-dihydro-1H-quinolin-2-one
OPENEYE Name: 4-amino-3,4-dihydro-1H-quinolin-2-one
IUPAC Name: 4-amino-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: 4-azanyl-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C9H10N2O
MOLECULAR WEIGHT: 162.1885
SMILES: C1C(C2=CC=CC=C2NC1=O)N

CAS RN: 938458-88-9
CAS Name: 1-amino-3-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-aminopiperidine-3-carboxylate
IUPAC Name: ethyl 1-aminopiperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-azanylpiperidine-3-carboxylate
MOLECULAR FORMULA: C8H16N2O2
MOLECULAR WEIGHT: 172.22484
SMILES: CCOC(=O)C1CCCN(C1)N

CAS RN: 950858-06-7
CAS Name: 2,6-difluoro-4-iodophenol
OPENEYE Name: 2,6-difluoro-4-iodo-phenol
IUPAC Name: 2,6-difluoro-4-iodophenol
SYSTEMATIC NAME: 2,6-bis(fluoranyl)-4-iodanyl-phenol
MOLECULAR FORMULA: C6H3F2IO
MOLECULAR WEIGHT: 255.988696
SMILES: C1=C(C=C(C(=C1F)O)F)I

CAS RN: 856965-37-2
CAS Name: 6-amino-3-pyridinol hydrochloride
OPENEYE Name: 6-aminopyridin-3-ol hydrochloride
IUPAC Name: 6-aminopyridin-3-ol hydrochloride
SYSTEMATIC NAME: 6-azanylpyridin-3-ol hydrochloride
MOLECULAR FORMULA: C5H7ClN2O
MOLECULAR WEIGHT: 146.57488
SMILES: C1=CC(=NC=C1O)N.Cl

CAS RN: 89581-38-4
CAS Name: 5-bromo-2-pyrimidinecarboxylic acid methyl ester
OPENEYE Name: methyl 5-bromopyrimidine-2-carboxylate
IUPAC Name: methyl 5-bromopyrimidine-2-carboxylate
SYSTEMATIC NAME: methyl 5-bromanylpyrimidine-2-carboxylate
MOLECULAR FORMULA: C6H5BrN2O2
MOLECULAR WEIGHT: 217.0201
SMILES: COC(=O)C1=NC=C(C=N1)Br

CAS RN: 57584-73-3
CAS Name: 3,3,6-trifluoro-1,2-dihydroindene
OPENEYE Name: 1,1,5-trifluoroindane
IUPAC Name: 3,3,6-trifluoro-1,2-dihydroindene
SYSTEMATIC NAME: 3,3,6-tris(fluoranyl)-1,2-dihydroindene
MOLECULAR FORMULA: C9H7F3
MOLECULAR WEIGHT: 172.14709
SMILES: C1CC(C2=C1C=C(C=C2)F)(F)F

CAS RN: 1099597-70-2
CAS Name: 2-chloro-1,4-difluoro-3-(trifluoromethyl)benzene
OPENEYE Name: 2-chloro-1,4-difluoro-3-(trifluoromethyl)benzene
IUPAC Name: 2-chloro-1,4-difluoro-3-(trifluoromethyl)benzene
SYSTEMATIC NAME: 2-chloranyl-1,4-bis(fluoranyl)-3-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H2ClF5
MOLECULAR WEIGHT: 216.535796
SMILES: C1=CC(=C(C(=C1F)C(F)(F)F)Cl)F

CAS RN: 57514-09-7
CAS Name: 1,1-difluoropropan-2-ylbenzene
OPENEYE Name: (2,2-difluoro-1-methyl-ethyl)benzene
IUPAC Name: 1,1-difluoropropan-2-ylbenzene
SYSTEMATIC NAME: 1,1-bis(fluoranyl)propan-2-ylbenzene
MOLECULAR FORMULA: C9H10F2
MOLECULAR WEIGHT: 156.172506
SMILES: CC(C1=CC=CC=C1)C(F)F

CAS RN: 885278-74-0
CAS Name: 1H-indazole-7-carboxylic acid ethyl ester
OPENEYE Name: ethyl 1H-indazole-7-carboxylate
IUPAC Name: ethyl 1H-indazole-7-carboxylate
SYSTEMATIC NAME: ethyl 1H-indazole-7-carboxylate
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: CCOC(=O)C1=CC=CC2=C1NN=C2

CAS RN: 1099597-35-9
CAS Name: 1-chloro-2,5-difluoro-4-(trifluoromethyl)benzene
OPENEYE Name: 1-chloro-2,5-difluoro-4-(trifluoromethyl)benzene
IUPAC Name: 1-chloro-2,5-difluoro-4-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-chloranyl-2,5-bis(fluoranyl)-4-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H2ClF5
MOLECULAR WEIGHT: 216.535796
SMILES: C1=C(C(=CC(=C1F)Cl)F)C(F)(F)F

CAS RN: 936092-88-5
CAS Name: 4-bromo-2-methyl-1-(trifluoromethyl)benzene
OPENEYE Name: 4-bromo-2-methyl-1-(trifluoromethyl)benzene
IUPAC Name: 4-bromo-2-methyl-1-(trifluoromethyl)benzene
SYSTEMATIC NAME: 4-bromanyl-2-methyl-1-(trifluoromethyl)benzene
MOLECULAR FORMULA: C8H6BrF3
MOLECULAR WEIGHT: 239.03245
SMILES: CC1=C(C=CC(=C1)Br)C(F)(F)F

CAS RN: 1033906-44-3
CAS Name: 3,3,3-trifluoro-1-propanesulfonamide
OPENEYE Name: 3,3,3-trifluoropropane-1-sulfonamide
IUPAC Name: 3,3,3-trifluoropropane-1-sulfonamide
SYSTEMATIC NAME: 3,3,3-tris(fluoranyl)propane-1-sulfonamide
MOLECULAR FORMULA: C3H6F3NO2S
MOLECULAR WEIGHT: 177.14545
SMILES: C(CS(=O)(=O)N)C(F)(F)F

CAS RN: 910818-29-0
CAS Name: 2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine
OPENEYE Name: 2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine
IUPAC Name: 2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine
SYSTEMATIC NAME: 2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine
MOLECULAR FORMULA: C8H9N3
MOLECULAR WEIGHT: 147.17716
SMILES: CC1=CC2=CC(=CN=C2N1)N

CAS RN: 941712-23-8
CAS Name: 5-phenyl-1,4-diazepane-1-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 5-phenyl-1,4-diazepane-1-carboxylate
IUPAC Name: tert-butyl 5-phenyl-1,4-diazepane-1-carboxylate
SYSTEMATIC NAME: tert-butyl 5-phenyl-1,4-diazepane-1-carboxylate
MOLECULAR FORMULA: C16H24N2O2
MOLECULAR WEIGHT: 276.37396
SMILES: CC(C)(C)OC(=O)N1CCC(NCC1)C2=CC=CC=C2

CAS RN: 1009826-93-0
CAS Name: 5-bromo-4-pyrimidinecarboxylic acid methyl ester
OPENEYE Name: methyl 5-bromopyrimidine-4-carboxylate
IUPAC Name: methyl 5-bromopyrimidine-4-carboxylate
SYSTEMATIC NAME: methyl 5-bromanylpyrimidine-4-carboxylate
MOLECULAR FORMULA: C6H5BrN2O2
MOLECULAR WEIGHT: 217.0201
SMILES: COC(=O)C1=NC=NC=C1Br

CAS RN: 956100-63-3
CAS Name: 8-bromo-2-chloroquinazoline
OPENEYE Name: 8-bromo-2-chloro-quinazoline
IUPAC Name: 8-bromo-2-chloroquinazoline
SYSTEMATIC NAME: 8-bromanyl-2-chloranyl-quinazoline
MOLECULAR FORMULA: C8H4BrClN2
MOLECULAR WEIGHT: 243.48776
SMILES: C1=CC2=CN=C(N=C2C(=C1)Br)Cl

CAS RN: 19500-62-0
CAS Name: 7-methoxy-1,2,3,4-tetrahydroquinoline hydrochloride
OPENEYE Name: 7-methoxy-1,2,3,4-tetrahydroquinoline hydrochloride
IUPAC Name: 7-methoxy-1,2,3,4-tetrahydroquinoline hydrochloride
SYSTEMATIC NAME: 7-methoxy-1,2,3,4-tetrahydroquinoline hydrochloride
MOLECULAR FORMULA: C10H14ClNO
MOLECULAR WEIGHT: 199.67726
SMILES: COC1=CC2=C(CCCN2)C=C1.Cl

CAS RN: 135900-33-3
CAS Name: 6-(trifluoromethoxy)-3-pyridinamine
OPENEYE Name: 6-(trifluoromethoxy)pyridin-3-amine
IUPAC Name: 6-(trifluoromethoxy)pyridin-3-amine
SYSTEMATIC NAME: 6-(trifluoromethyloxy)pyridin-3-amine
MOLECULAR FORMULA: C6H5F3N2O
MOLECULAR WEIGHT: 178.11191
SMILES: C1=CC(=NC=C1N)OC(F)(F)F

CAS RN: 886365-56-6
CAS Name: 5-fluoro-3-methyl-2-pyridinamine
OPENEYE Name: 5-fluoro-3-methyl-pyridin-2-amine
IUPAC Name: 5-fluoro-3-methylpyridin-2-amine
SYSTEMATIC NAME: 5-fluoranyl-3-methyl-pyridin-2-amine
MOLECULAR FORMULA: C6H7FN2
MOLECULAR WEIGHT: 126.131583
SMILES: CC1=CC(=CN=C1N)F

CAS RN: 1082041-90-4
CAS Name: 5-bromo-4-chloro-1H-indazole
OPENEYE Name: 5-bromo-4-chloro-1H-indazole
IUPAC Name: 5-bromo-4-chloro-1H-indazole
SYSTEMATIC NAME: 5-bromanyl-4-chloranyl-1H-indazole
MOLECULAR FORMULA: C7H4BrClN2
MOLECULAR WEIGHT: 231.47706
SMILES: C1=CC(=C(C2=C1NN=C2)Cl)Br

CAS RN: 55242-82-5
CAS Name: 4-oxazolylmethanamine hydrochloride
OPENEYE Name: oxazol-4-ylmethanamine hydrochloride
IUPAC Name: 1,3-oxazol-4-ylmethanamine hydrochloride
SYSTEMATIC NAME: 1,3-oxazol-4-ylmethanamine hydrochloride
MOLECULAR FORMULA: C4H7ClN2O
MOLECULAR WEIGHT: 134.56418
SMILES: C1=C(N=CO1)CN.Cl

CAS RN: 34403-47-9
CAS Name: [4-(bromomethyl)phenyl]methanamine hydrobromide
OPENEYE Name: [4-(bromomethyl)phenyl]methanamine hydrobromide
IUPAC Name: [4-(bromomethyl)phenyl]methanamine hydrobromide
SYSTEMATIC NAME: [4-(bromomethyl)phenyl]methanamine hydrobromide
MOLECULAR FORMULA: C8H11Br2N
MOLECULAR WEIGHT: 280.98764
SMILES: C1=CC(=CC=C1CN)CBr.Br

CAS RN: 72752-81-9
CAS Name: 2-sulfanylidene-3H-1,3-benzoxazole-6-carboxylic acid methyl ester
OPENEYE Name: methyl 2-thioxo-3H-1,3-benzoxazole-6-carboxylate
IUPAC Name: methyl 2-sulfanylidene-3H-1,3-benzoxazole-6-carboxylate
SYSTEMATIC NAME: methyl 2-sulfanylidene-3H-1,3-benzoxazole-6-carboxylate
MOLECULAR FORMULA: C9H7NO3S
MOLECULAR WEIGHT: 209.22178
SMILES: COC(=O)C1=CC2=C(C=C1)NC(=S)O2

CAS RN: 635698-30-5
CAS Name: 2,4-dichloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine hydrochloride
OPENEYE Name: 2,4-dichloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine hydrochloride
IUPAC Name: 2,4-dichloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine hydrochloride
SYSTEMATIC NAME: 2,4-bis(chloranyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine hydrochloride
MOLECULAR FORMULA: C7H8Cl3N3
MOLECULAR WEIGHT: 240.51752
SMILES: C1CNCC2=C1N=C(N=C2Cl)Cl.Cl

CAS RN: 1186195-01-6
CAS Name: 2,2,2-trifluoro-1-(4-methylphenyl)ethanamine hydrochloride
OPENEYE Name: 2,2,2-trifluoro-1-(p-tolyl)ethanamine hydrochloride
IUPAC Name: 2,2,2-trifluoro-1-(4-methylphenyl)ethanamine hydrochloride
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-1-(4-methylphenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C9H11ClF3N
MOLECULAR WEIGHT: 225.63855
SMILES: CC1=CC=C(C=C1)C(C(F)(F)F)N.Cl

CAS RN: 65686-77-3
CAS Name: 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine hydrochloride
OPENEYE Name: 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine hydrochloride
IUPAC Name: 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine hydrochloride
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-1-(4-methoxyphenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C9H11ClF3NO
MOLECULAR WEIGHT: 241.63795
SMILES: COC1=CC=C(C=C1)C(C(F)(F)F)N.Cl

CAS RN: 1053656-45-3
CAS Name: 1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine
OPENEYE Name: 1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine
IUPAC Name: 1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine
SYSTEMATIC NAME: 1-chloranyl-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine
MOLECULAR FORMULA: C7H6ClN3O2
MOLECULAR WEIGHT: 199.59444
SMILES: C1=CN2C=C(C=C2C(N1)Cl)[N+](=O)[O-]

CAS RN: 1208459-96-4
CAS Name: 6-fluoro-1-indolecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 6-fluoroindole-1-carboxylate
IUPAC Name: tert-butyl 6-fluoroindole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 6-fluoranylindole-1-carboxylate
MOLECULAR FORMULA: C13H14FNO2
MOLECULAR WEIGHT: 235.254163
SMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)F

CAS RN: 914947-26-5
CAS Name: (6-bromo-2-pyridinyl)methanamine hydrochloride
OPENEYE Name: (6-bromo-2-pyridyl)methanamine hydrochloride
IUPAC Name: (6-bromopyridin-2-yl)methanamine hydrochloride
SYSTEMATIC NAME: (6-bromanylpyridin-2-yl)methanamine hydrochloride
MOLECULAR FORMULA: C6H8BrClN2
MOLECULAR WEIGHT: 223.49812
SMILES: C1=CC(=NC(=C1)Br)CN.Cl

CAS RN: 919347-69-6
CAS Name: (5-formyl-3-pyridinyl)boronic acid
OPENEYE Name: (5-formyl-3-pyridyl)boronic acid
IUPAC Name: (5-formylpyridin-3-yl)boronic acid
SYSTEMATIC NAME: (5-methanoylpyridin-3-yl)boronic acid
MOLECULAR FORMULA: C6H6BNO3
MOLECULAR WEIGHT: 150.92774
SMILES: B(C1=CC(=CN=C1)C=O)(O)O

CAS RN: 220996-81-6
CAS Name: [4-bromo-2-(trifluoromethoxy)phenyl]methanol
OPENEYE Name: [4-bromo-2-(trifluoromethoxy)phenyl]methanol
IUPAC Name: [4-bromo-2-(trifluoromethoxy)phenyl]methanol
SYSTEMATIC NAME: [4-bromanyl-2-(trifluoromethyloxy)phenyl]methanol
MOLECULAR FORMULA: C8H6BrF3O2
MOLECULAR WEIGHT: 271.03125
SMILES: C1=CC(=C(C=C1Br)OC(F)(F)F)CO

CAS RN: 637348-19-7
CAS Name: 2-(2-ethynylphenyl)acetic acid methyl ester
OPENEYE Name: methyl 2-(2-ethynylphenyl)acetate
IUPAC Name: methyl 2-(2-ethynylphenyl)acetate
SYSTEMATIC NAME: methyl 2-(2-ethynylphenyl)ethanoate
MOLECULAR FORMULA: C11H10O2
MOLECULAR WEIGHT: 174.1959
SMILES: COC(=O)CC1=CC=CC=C1C#C

CAS RN: 876379-75-8
CAS Name: 6-chloro-2-pyrazolo[1,5-a]pyridinecarboxylic acid
OPENEYE Name: 6-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid
IUPAC Name: 6-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid
SYSTEMATIC NAME: 6-chloranylpyrazolo[1,5-a]pyridine-2-carboxylic acid
MOLECULAR FORMULA: C8H5ClN2O2
MOLECULAR WEIGHT: 196.5905
SMILES: C1=CC(=CN2C1=CC(=N2)C(=O)O)Cl

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