Monday, June 27, 2011

http://ChemLookup.com Compounds




CAS RN: 1124194-67-7
CAS Name: 2-oxo-1H-1,7-naphthyridine-3-carboxylic acid methyl ester
OPENEYE Name: methyl 2-oxo-1H-1,7-naphthyridine-3-carboxylate
IUPAC Name: methyl 2-oxo-1H-1,7-naphthyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-oxidanylidene-1H-1,7-naphthyridine-3-carboxylate
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: COC(=O)C1=CC2=C(C=NC=C2)NC1=O

CAS RN: 1004303-83-6
CAS Name: 1H-pyrrolo[2,3-b]pyridine-4-carbohydrazide
OPENEYE Name: 1H-pyrrolo[2,3-b]pyridine-4-carbohydrazide
IUPAC Name: 1H-pyrrolo[2,3-b]pyridine-4-carbohydrazide
SYSTEMATIC NAME: 1H-pyrrolo[2,3-b]pyridine-4-carbohydrazide
MOLECULAR FORMULA: C8H8N4O
MOLECULAR WEIGHT: 176.17532
SMILES: C1=CNC2=NC=CC(=C21)C(=O)NN

CAS RN: 607368-91-2
CAS Name: 2-(1-ethyl-2-imidazo[4,5-c]pyridinyl)acetonitrile
OPENEYE Name: 2-(1-ethylimidazo[4,5-c]pyridin-2-yl)acetonitrile
IUPAC Name: 2-(1-ethylimidazo[4,5-c]pyridin-2-yl)acetonitrile
SYSTEMATIC NAME: 2-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethanenitrile
MOLECULAR FORMULA: C10H10N4
MOLECULAR WEIGHT: 186.2132
SMILES: CCN1C2=C(C=NC=C2)N=C1CC#N

CAS RN: 1125702-52-4
CAS Name: 7,8-difluoro-2-methoxy-4-quinolinecarboxaldehyde
OPENEYE Name: 7,8-difluoro-2-methoxy-quinoline-4-carbaldehyde
IUPAC Name: 7,8-difluoro-2-methoxyquinoline-4-carbaldehyde
SYSTEMATIC NAME: 7,8-bis(fluoranyl)-2-methoxy-quinoline-4-carbaldehyde
MOLECULAR FORMULA: C11H7F2NO2
MOLECULAR WEIGHT: 223.175586
SMILES: COC1=NC2=C(C=CC(=C2F)F)C(=C1)C=O

CAS RN: 1125702-54-6
CAS Name: (7,8-difluoro-2-methoxy-4-quinolinyl)methanol
OPENEYE Name: (7,8-difluoro-2-methoxy-4-quinolyl)methanol
IUPAC Name: (7,8-difluoro-2-methoxyquinolin-4-yl)methanol
SYSTEMATIC NAME: [7,8-bis(fluoranyl)-2-methoxy-quinolin-4-yl]methanol
MOLECULAR FORMULA: C11H9F2NO2
MOLECULAR WEIGHT: 225.191466
SMILES: COC1=NC2=C(C=CC(=C2F)F)C(=C1)CO

CAS RN: 1125702-53-5
CAS Name: (2-chloro-7,8-difluoro-4-quinolinyl)methanol
OPENEYE Name: (2-chloro-7,8-difluoro-4-quinolyl)methanol
IUPAC Name: (2-chloro-7,8-difluoroquinolin-4-yl)methanol
SYSTEMATIC NAME: [2-chloranyl-7,8-bis(fluoranyl)quinolin-4-yl]methanol
MOLECULAR FORMULA: C10H6ClF2NO
MOLECULAR WEIGHT: 229.610546
SMILES: C1=CC(=C(C2=C1C(=CC(=N2)Cl)CO)F)F

CAS RN: 1125702-47-7
CAS Name: 4-(bromomethyl)-2-chloro-7,8-difluoroquinoline
OPENEYE Name: 4-(bromomethyl)-2-chloro-7,8-difluoro-quinoline
IUPAC Name: 4-(bromomethyl)-2-chloro-7,8-difluoroquinoline
SYSTEMATIC NAME: 4-(bromomethyl)-2-chloranyl-7,8-bis(fluoranyl)quinoline
MOLECULAR FORMULA: C10H5BrClF2N
MOLECULAR WEIGHT: 292.507206
SMILES: C1=CC(=C(C2=C1C(=CC(=N2)Cl)CBr)F)F

CAS RN: 5855-58-3
CAS Name: 4-phenyl-2-quinolinecarbonitrile
OPENEYE Name: 4-phenylquinoline-2-carbonitrile
IUPAC Name: 4-phenylquinoline-2-carbonitrile
SYSTEMATIC NAME: 4-phenylquinoline-2-carbonitrile
MOLECULAR FORMULA: C16H10N2
MOLECULAR WEIGHT: 230.264
SMILES: C1=CC=C(C=C1)C2=CC(=NC3=CC=CC=C32)C#N

CAS RN: 1125702-48-8
CAS Name: 7,8-difluoro-2-methoxy-4-quinolinecarbonyl chloride
OPENEYE Name: 7,8-difluoro-2-methoxy-quinoline-4-carbonyl chloride
IUPAC Name: 7,8-difluoro-2-methoxyquinoline-4-carbonyl chloride
SYSTEMATIC NAME: 7,8-bis(fluoranyl)-2-methoxy-quinoline-4-carbonyl chloride
MOLECULAR FORMULA: C11H6ClF2NO2
MOLECULAR WEIGHT: 257.620646
SMILES: COC1=NC2=C(C=CC(=C2F)F)C(=C1)C(=O)Cl

CAS RN: 916578-53-5
CAS Name: N-[4-(chloromethyl)phenyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[4-(chloromethyl)phenyl]carbamate
IUPAC Name: tert-butyl N-[4-(chloromethyl)phenyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[4-(chloromethyl)phenyl]carbamate
MOLECULAR FORMULA: C12H16ClNO2
MOLECULAR WEIGHT: 241.71394
SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)CCl

CAS RN: 144072-30-0
CAS Name: 2-(4-aminophenyl)-2-hydroxyacetic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-(4-aminophenyl)-2-hydroxy-acetate
IUPAC Name: tert-butyl 2-(4-aminophenyl)-2-hydroxyacetate
SYSTEMATIC NAME: tert-butyl 2-(4-aminophenyl)-2-oxidanyl-ethanoate
MOLECULAR FORMULA: C12H17NO3
MOLECULAR WEIGHT: 223.26828
SMILES: CC(C)(C)OC(=O)C(C1=CC=C(C=C1)N)O

CAS RN: 142524-46-7
CAS Name: 2-amino-2-(4-tert-butylphenyl)acetic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-amino-2-(4-tert-butylphenyl)acetate hydrochloride
IUPAC Name: methyl 2-amino-2-(4-tert-butylphenyl)acetate hydrochloride
SYSTEMATIC NAME: methyl 2-azanyl-2-(4-tert-butylphenyl)ethanoate hydrochloride
MOLECULAR FORMULA: C13H20ClNO2
MOLECULAR WEIGHT: 257.7564
SMILES: CC(C)(C)C1=CC=C(C=C1)C(C(=O)OC)N.Cl

CAS RN: 1000519-40-3
CAS Name: 3-[4-(trifluoromethoxy)phenyl]-1-propanol
OPENEYE Name: 3-[4-(trifluoromethoxy)phenyl]propan-1-ol
IUPAC Name: 3-[4-(trifluoromethoxy)phenyl]propan-1-ol
SYSTEMATIC NAME: 3-[4-(trifluoromethyloxy)phenyl]propan-1-ol
MOLECULAR FORMULA: C10H11F3O2
MOLECULAR WEIGHT: 220.18835
SMILES: C1=CC(=CC=C1CCCO)OC(F)(F)F

CAS RN: 149428-73-9
CAS Name: 4-methoxy-3-(1-phenylethoxy)benzaldehyde
OPENEYE Name: 4-methoxy-3-(1-phenylethoxy)benzaldehyde
IUPAC Name: 4-methoxy-3-(1-phenylethoxy)benzaldehyde
SYSTEMATIC NAME: 4-methoxy-3-(1-phenylethoxy)benzaldehyde
MOLECULAR FORMULA: C16H16O3
MOLECULAR WEIGHT: 256.29644
SMILES: CC(C1=CC=CC=C1)OC2=C(C=CC(=C2)C=O)OC

CAS RN: 1021126-94-2
CAS Name: [4-methoxy-3-(1-phenylethoxy)phenyl]methanol
OPENEYE Name: [4-methoxy-3-(1-phenylethoxy)phenyl]methanol
IUPAC Name: [4-methoxy-3-(1-phenylethoxy)phenyl]methanol
SYSTEMATIC NAME: [4-methoxy-3-(1-phenylethoxy)phenyl]methanol
MOLECULAR FORMULA: C16H18O3
MOLECULAR WEIGHT: 258.31232
SMILES: CC(C1=CC=CC=C1)OC2=C(C=CC(=C2)CO)OC

CAS RN: 888327-29-5
CAS Name: 4-chlorosulfonyl-2,3-dihydro-1H-indene-2-carboxylic acid methyl ester
OPENEYE Name: methyl 4-chlorosulfonylindane-2-carboxylate
IUPAC Name: methyl 4-chlorosulfonyl-2,3-dihydro-1H-indene-2-carboxylate
SYSTEMATIC NAME: methyl 4-chloranylsulfonyl-2,3-dihydro-1H-indene-2-carboxylate
MOLECULAR FORMULA: C11H11ClO4S
MOLECULAR WEIGHT: 274.72064
SMILES: COC(=O)C1CC2=C(C1)C(=CC=C2)S(=O)(=O)Cl

CAS RN: 1060811-99-5
CAS Name: 1-(2-chloro-4-pyridinyl)ethanamine
OPENEYE Name: 1-(2-chloro-4-pyridyl)ethanamine
IUPAC Name: 1-(2-chloropyridin-4-yl)ethanamine
SYSTEMATIC NAME: 1-(2-chloranylpyridin-4-yl)ethanamine
MOLECULAR FORMULA: C7H9ClN2
MOLECULAR WEIGHT: 156.61276
SMILES: CC(C1=CC(=NC=C1)Cl)N

CAS RN: 1124194-63-3
CAS Name: N-(4-formyl-3-pyridinyl)acetamide
OPENEYE Name: N-(4-formyl-3-pyridyl)acetamide
IUPAC Name: N-(4-formylpyridin-3-yl)acetamide
SYSTEMATIC NAME: N-(4-methanoylpyridin-3-yl)ethanamide
MOLECULAR FORMULA: C8H8N2O2
MOLECULAR WEIGHT: 164.16132
SMILES: CC(=O)NC1=C(C=CN=C1)C=O

CAS RN: 159634-94-3
CAS Name: N-[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]-N-(2-methyl-1-oxopropan-2-yl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(1,1-dimethyl-2-oxo-ethyl)carbamate
IUPAC Name: tert-butyl N-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-methyl-1-oxopropan-2-yl)carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]-N-(2-methyl-1-oxidanylidene-propan-2-yl)carbamate
MOLECULAR FORMULA: C20H27N3O4
MOLECULAR WEIGHT: 373.44608
SMILES: CC(C)(C)OC(=O)N(C(=O)[C@H](CC1=CNC2=CC=CC=C21)N)C(C)(C)C=O

CAS RN: 911705-42-5
CAS Name: 6-(bromomethyl)-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
OPENEYE Name: 6-(bromomethyl)-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
IUPAC Name: 6-(bromomethyl)-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-(bromomethyl)-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C13H16BrNO3
MOLECULAR WEIGHT: 314.17504
SMILES: COCCCN1C(=O)COC2=C1C=C(C=C2)CBr

CAS RN: 857272-02-7
CAS Name: 6-(chloromethyl)-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
OPENEYE Name: 6-(chloromethyl)-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
IUPAC Name: 6-(chloromethyl)-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-(chloromethyl)-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C13H16ClNO3
MOLECULAR WEIGHT: 269.72404
SMILES: COCCCN1C(=O)COC2=C1C=C(C=C2)CCl

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