Monday, July 18, 2011

http://ChemLookup.com Compounds




CAS RN: 917572-30-6
CAS Name: 2-[(3R)-4-(phenylmethyl)-3-morpholinyl]acetic acid methyl ester
OPENEYE Name: methyl 2-[(3R)-4-benzylmorpholin-3-yl]acetate
IUPAC Name: methyl 2-[(3R)-4-benzylmorpholin-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[(3R)-4-(phenylmethyl)morpholin-3-yl]ethanoate
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: COC(=O)C[C@@H]1COCCN1CC2=CC=CC=C2
Structure:

CAS RN: 917572-29-3
CAS Name: 2-[(3R)-4-(phenylmethyl)-3-morpholinyl]acetonitrile
OPENEYE Name: 2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile
IUPAC Name: 2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile
SYSTEMATIC NAME: 2-[(3R)-4-(phenylmethyl)morpholin-3-yl]ethanenitrile
MOLECULAR FORMULA: C13H16N2O
MOLECULAR WEIGHT: 216.27894
SMILES: C1COC[C@H](N1CC2=CC=CC=C2)CC#N
Structure:

CAS RN: 917572-28-2
CAS Name: (3S)-3-(chloromethyl)-4-(phenylmethyl)morpholine
OPENEYE Name: (3S)-4-benzyl-3-(chloromethyl)morpholine
IUPAC Name: (3S)-4-benzyl-3-(chloromethyl)morpholine
SYSTEMATIC NAME: (3S)-3-(chloromethyl)-4-(phenylmethyl)morpholine
MOLECULAR FORMULA: C12H16ClNO
MOLECULAR WEIGHT: 225.71454
SMILES: C1COC[C@H](N1CC2=CC=CC=C2)CCl
Structure:

CAS RN: 165119-29-9
CAS Name: 3-(4-phenylmethoxyphenyl)pentanedioic acid
OPENEYE Name: 3-(4-benzyloxyphenyl)pentanedioic acid
IUPAC Name: 3-(4-phenylmethoxyphenyl)pentanedioic acid
SYSTEMATIC NAME: 3-(4-phenylmethoxyphenyl)pentanedioic acid
MOLECULAR FORMULA: C18H18O5
MOLECULAR WEIGHT: 314.33252
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C(CC(=O)O)CC(=O)O
Structure:

CAS RN: 129392-87-6
CAS Name: N-(6-azidohexyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(6-azidohexyl)carbamate
IUPAC Name: tert-butyl N-(6-azidohexyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(6-azidohexyl)carbamate
MOLECULAR FORMULA: C11H22N4O2
MOLECULAR WEIGHT: 242.31798
SMILES: CC(C)(C)OC(=O)NCCCCCCN=[N+]=[N-]
Structure:

CAS RN: 866472-96-0
CAS Name: 3-amino-6-fluoro-1H-quinolin-4-one
OPENEYE Name: 3-amino-6-fluoro-1H-quinolin-4-one
IUPAC Name: 3-amino-6-fluoro-1H-quinolin-4-one
SYSTEMATIC NAME: 3-azanyl-6-fluoranyl-1H-quinolin-4-one
MOLECULAR FORMULA: C9H7FN2O
MOLECULAR WEIGHT: 178.163083
SMILES: C1=CC2=C(C=C1F)C(=O)C(=CN2)N
Structure:

CAS RN: 90770-94-8
CAS Name: 5-amino-1-isoquinolinecarboxylic acid
OPENEYE Name: 5-aminoisoquinoline-1-carboxylic acid
IUPAC Name: 5-aminoisoquinoline-1-carboxylic acid
SYSTEMATIC NAME: 5-azanylisoquinoline-1-carboxylic acid
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C1=CC2=C(C=CN=C2C(=O)O)C(=C1)N
Structure:

CAS RN: 76196-67-3
CAS Name: 6-(aminomethyl)-3-pyridinecarboxylic acid
OPENEYE Name: 6-(aminomethyl)pyridine-3-carboxylic acid
IUPAC Name: 6-(aminomethyl)pyridine-3-carboxylic acid
SYSTEMATIC NAME: 6-(aminomethyl)pyridine-3-carboxylic acid
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: C1=CC(=NC=C1C(=O)O)CN
Structure:

CAS RN: 959246-37-8
CAS Name: (E)-2-acetamido-3-(2,5-difluorophenyl)-2-propenoic acid
OPENEYE Name: (E)-2-acetamido-3-(2,5-difluorophenyl)prop-2-enoic acid
IUPAC Name: (E)-2-acetamido-3-(2,5-difluorophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-2-acetamido-3-[2,5-bis(fluoranyl)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C11H9F2NO3
MOLECULAR WEIGHT: 241.190866
SMILES: CC(=O)N/C(=C/C1=C(C=CC(=C1)F)F)/C(=O)O
Structure:

CAS RN: 323591-38-4
CAS Name: 7-(chloromethyl)-4-quinazolinamine
OPENEYE Name: 7-(chloromethyl)quinazolin-4-amine
IUPAC Name: 7-(chloromethyl)quinazolin-4-amine
SYSTEMATIC NAME: 7-(chloromethyl)quinazolin-4-amine
MOLECULAR FORMULA: C9H8ClN3
MOLECULAR WEIGHT: 193.63292
SMILES: C1=CC2=C(C=C1CCl)N=CN=C2N
Structure:

CAS RN: 1017789-08-0
CAS Name: 5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
IUPAC Name: ethyl 5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
SYSTEMATIC NAME: ethyl 5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
MOLECULAR FORMULA: C10H12N4O2
MOLECULAR WEIGHT: 220.22788
SMILES: CCOC(=O)C1=NN=C2N1C(=CC(=N2)C)C
Structure:

CAS RN: 73254-96-3
CAS Name: 5-bromo-2-(2-chlorophenoxy)pyrimidine
OPENEYE Name: 5-bromo-2-(2-chlorophenoxy)pyrimidine
IUPAC Name: 5-bromo-2-(2-chlorophenoxy)pyrimidine
SYSTEMATIC NAME: 5-bromanyl-2-(2-chloranylphenoxy)pyrimidine
MOLECULAR FORMULA: C10H6BrClN2O
MOLECULAR WEIGHT: 285.52444
SMILES: C1=CC=C(C(=C1)OC2=NC=C(C=N2)Br)Cl
Structure:

CAS RN: 1017789-01-3
CAS Name: 5-bromo-2-(2-bromo-4-methylphenoxy)pyrimidine
OPENEYE Name: 5-bromo-2-(2-bromo-4-methyl-phenoxy)pyrimidine
IUPAC Name: 5-bromo-2-(2-bromo-4-methylphenoxy)pyrimidine
SYSTEMATIC NAME: 5-bromanyl-2-(2-bromanyl-4-methyl-phenoxy)pyrimidine
MOLECULAR FORMULA: C11H8Br2N2O
MOLECULAR WEIGHT: 344.00202
SMILES: CC1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)Br
Structure:

CAS RN: 1017788-99-6
CAS Name: 5-bromo-2-(2,4-ditert-butylphenoxy)pyrimidine
OPENEYE Name: 5-bromo-2-(2,4-ditert-butylphenoxy)pyrimidine
IUPAC Name: 5-bromo-2-(2,4-ditert-butylphenoxy)pyrimidine
SYSTEMATIC NAME: 5-bromanyl-2-(2,4-ditert-butylphenoxy)pyrimidine
MOLECULAR FORMULA: C18H23BrN2O
MOLECULAR WEIGHT: 363.29202
SMILES: CC(C)(C)C1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)C(C)(C)C
Structure:

CAS RN: 926304-76-9
CAS Name: 4-[(5-bromo-2-pyrimidinyl)oxy]benzoic acid methyl ester
OPENEYE Name: methyl 4-(5-bromopyrimidin-2-yl)oxybenzoate
IUPAC Name: methyl 4-(5-bromopyrimidin-2-yl)oxybenzoate
SYSTEMATIC NAME: methyl 4-(5-bromanylpyrimidin-2-yl)oxybenzoate
MOLECULAR FORMULA: C12H9BrN2O3
MOLECULAR WEIGHT: 309.11546
SMILES: COC(=O)C1=CC=C(C=C1)OC2=NC=C(C=N2)Br
Structure:

CAS RN: 78416-43-0
CAS Name: 5-amino-1H-indazole-4-carboxylic acid methyl ester
OPENEYE Name: methyl 5-amino-1H-indazole-4-carboxylate
IUPAC Name: methyl 5-amino-1H-indazole-4-carboxylate
SYSTEMATIC NAME: methyl 5-azanyl-1H-indazole-4-carboxylate
MOLECULAR FORMULA: C9H9N3O2
MOLECULAR WEIGHT: 191.18666
SMILES: COC(=O)C1=C(C=CC2=C1C=NN2)N
Structure:

CAS RN: 62584-27-4
CAS Name: 4-amino-3-bromo-5-(trifluoromethyl)benzonitrile
OPENEYE Name: 4-amino-3-bromo-5-(trifluoromethyl)benzonitrile
IUPAC Name: 4-amino-3-bromo-5-(trifluoromethyl)benzonitrile
SYSTEMATIC NAME: 4-azanyl-3-bromanyl-5-(trifluoromethyl)benzenecarbonitrile
MOLECULAR FORMULA: C8H4BrF3N2
MOLECULAR WEIGHT: 265.02997
SMILES: C1=C(C=C(C(=C1C(F)(F)F)N)Br)C#N
Structure:

CAS RN: 1000340-01-1
CAS Name: 3,5-dibromo-2-fluoro-4-methylpyridine
OPENEYE Name: 3,5-dibromo-2-fluoro-4-methyl-pyridine
IUPAC Name: 3,5-dibromo-2-fluoro-4-methylpyridine
SYSTEMATIC NAME: 3,5-bis(bromanyl)-2-fluoranyl-4-methyl-pyridine
MOLECULAR FORMULA: C6H4Br2FN
MOLECULAR WEIGHT: 268.909063
SMILES: CC1=C(C(=NC=C1Br)F)Br
Structure:

CAS RN: 644985-24-0
CAS Name: 4-bromo-2,3-difluorobenzaldehyde
OPENEYE Name: 4-bromo-2,3-difluoro-benzaldehyde
IUPAC Name: 4-bromo-2,3-difluorobenzaldehyde
SYSTEMATIC NAME: 4-bromanyl-2,3-bis(fluoranyl)benzaldehyde
MOLECULAR FORMULA: C7H3BrF2O
MOLECULAR WEIGHT: 220.998926
SMILES: C1=CC(=C(C(=C1C=O)F)F)Br
Structure:

CAS RN: 866683-57-0
CAS Name: 1-ethynyl-3-(trifluoromethoxy)benzene
OPENEYE Name: 1-ethynyl-3-(trifluoromethoxy)benzene
IUPAC Name: 1-ethynyl-3-(trifluoromethoxy)benzene
SYSTEMATIC NAME: 1-ethynyl-3-(trifluoromethyloxy)benzene
MOLECULAR FORMULA: C9H5F3O
MOLECULAR WEIGHT: 186.13061
SMILES: C#CC1=CC(=CC=C1)OC(F)(F)F
Structure:

CAS RN: 936841-73-5
CAS Name: 5-fluoro-2-(trifluoromethyl)pyridine
OPENEYE Name: 5-fluoro-2-(trifluoromethyl)pyridine
IUPAC Name: 5-fluoro-2-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 5-fluoranyl-2-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C6H3F4N
MOLECULAR WEIGHT: 165.088333
SMILES: C1=CC(=NC=C1F)C(F)(F)F
Structure:

CAS RN: 954236-33-0
CAS Name: 6-fluoro-4-methyl-3-pyridinamine
OPENEYE Name: 6-fluoro-4-methyl-pyridin-3-amine
IUPAC Name: 6-fluoro-4-methylpyridin-3-amine
SYSTEMATIC NAME: 6-fluoranyl-4-methyl-pyridin-3-amine
MOLECULAR FORMULA: C6H7FN2
MOLECULAR WEIGHT: 126.131583
SMILES: CC1=CC(=NC=C1N)F
Structure:

CAS RN: 881891-83-4
CAS Name: 2-chloro-5-fluoro-4-methylpyridine
OPENEYE Name: 2-chloro-5-fluoro-4-methyl-pyridine
IUPAC Name: 2-chloro-5-fluoro-4-methylpyridine
SYSTEMATIC NAME: 2-chloranyl-5-fluoranyl-4-methyl-pyridine
MOLECULAR FORMULA: C6H5ClFN
MOLECULAR WEIGHT: 145.562003
SMILES: CC1=CC(=NC=C1F)Cl
Structure:

CAS RN: 374554-41-3
CAS Name: 3-bromo-2-fluorobenzoyl chloride
OPENEYE Name: 3-bromo-2-fluoro-benzoyl chloride
IUPAC Name: 3-bromo-2-fluorobenzoyl chloride
SYSTEMATIC NAME: 3-bromanyl-2-fluoranyl-benzoyl chloride
MOLECULAR FORMULA: C7H3BrClFO
MOLECULAR WEIGHT: 237.453523
SMILES: C1=CC(=C(C(=C1)Br)F)C(=O)Cl
Structure:

CAS RN: 79623-38-4
CAS Name: 2,3-dibromo-5-(trifluoromethyl)pyridine
OPENEYE Name: 2,3-dibromo-5-(trifluoromethyl)pyridine
IUPAC Name: 2,3-dibromo-5-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 2,3-bis(bromanyl)-5-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C6H2Br2F3N
MOLECULAR WEIGHT: 304.88999
SMILES: C1=C(C=NC(=C1Br)Br)C(F)(F)F
Structure:

CAS RN: 261723-32-4
CAS Name: (3-bromo-2-fluorophenyl)methanol
OPENEYE Name: (3-bromo-2-fluoro-phenyl)methanol
IUPAC Name: (3-bromo-2-fluorophenyl)methanol
SYSTEMATIC NAME: (3-bromanyl-2-fluoranyl-phenyl)methanol
MOLECULAR FORMULA: C7H6BrFO
MOLECULAR WEIGHT: 205.024343
SMILES: C1=CC(=C(C(=C1)Br)F)CO
Structure:

CAS RN: 444120-93-8
CAS Name: 2-fluoro-5-(4-methoxyphenyl)pyridine
OPENEYE Name: 2-fluoro-5-(4-methoxyphenyl)pyridine
IUPAC Name: 2-fluoro-5-(4-methoxyphenyl)pyridine
SYSTEMATIC NAME: 2-fluoranyl-5-(4-methoxyphenyl)pyridine
MOLECULAR FORMULA: C12H10FNO
MOLECULAR WEIGHT: 203.212303
SMILES: COC1=CC=C(C=C1)C2=CN=C(C=C2)F
Structure:

CAS RN: 156573-09-0
CAS Name: 1-bromo-4-ethoxy-2,3-difluorobenzene
OPENEYE Name: 1-bromo-4-ethoxy-2,3-difluoro-benzene
IUPAC Name: 1-bromo-4-ethoxy-2,3-difluorobenzene
SYSTEMATIC NAME: 1-bromanyl-4-ethoxy-2,3-bis(fluoranyl)benzene
MOLECULAR FORMULA: C8H7BrF2O
MOLECULAR WEIGHT: 237.041386
SMILES: CCOC1=C(C(=C(C=C1)Br)F)F
Structure:

CAS RN: 947534-62-5
CAS Name: 2-(difluoromethoxy)-6-fluoropyridine
OPENEYE Name: 2-(difluoromethoxy)-6-fluoro-pyridine
IUPAC Name: 2-(difluoromethoxy)-6-fluoropyridine
SYSTEMATIC NAME: 2-[bis(fluoranyl)methoxy]-6-fluoranyl-pyridine
MOLECULAR FORMULA: C6H4F3NO
MOLECULAR WEIGHT: 163.09727
SMILES: C1=CC(=NC(=C1)F)OC(F)F
Structure:

CAS RN: 797784-29-3
CAS Name: 2-(3,5-difluorophenyl)acetohydrazide
OPENEYE Name: 2-(3,5-difluorophenyl)acetohydrazide
IUPAC Name: 2-(3,5-difluorophenyl)acetohydrazide
SYSTEMATIC NAME: 2-[3,5-bis(fluoranyl)phenyl]ethanehydrazide
MOLECULAR FORMULA: C8H8F2N2O
MOLECULAR WEIGHT: 186.158726
SMILES: C1=C(C=C(C=C1F)F)CC(=O)NN
Structure:

CAS RN: 887267-04-1
CAS Name: 3,6-difluoro-2-methoxybenzaldehyde
OPENEYE Name: 3,6-difluoro-2-methoxy-benzaldehyde
IUPAC Name: 3,6-difluoro-2-methoxybenzaldehyde
SYSTEMATIC NAME: 3,6-bis(fluoranyl)-2-methoxy-benzaldehyde
MOLECULAR FORMULA: C8H6F2O2
MOLECULAR WEIGHT: 172.128846
SMILES: COC1=C(C=CC(=C1C=O)F)F
Structure:

CAS RN: 749230-37-3
CAS Name: 3,6-difluoro-2-hydroxybenzoic acid
OPENEYE Name: 3,6-difluoro-2-hydroxy-benzoic acid
IUPAC Name: 3,6-difluoro-2-hydroxybenzoic acid
SYSTEMATIC NAME: 3,6-bis(fluoranyl)-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H4F2O3
MOLECULAR WEIGHT: 174.101666
SMILES: C1=CC(=C(C(=C1F)C(=O)O)O)F
Structure:

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