Sunday, April 29, 2012

http://ChemLookup.com Compounds




CAS RN: 5468-12-2
CAS Name: (2S)-4-anilino-1,2-diphenyl-2H-pyrrol-5-one
OPENEYE Name: (2S)-4-anilino-1,2-diphenyl-2H-pyrrol-5-one
IUPAC Name: (2S)-4-anilino-1,2-diphenyl-2H-pyrrol-5-one
SYSTEMATIC NAME: (2S)-1,2-diphenyl-4-phenylazanyl-2H-pyrrol-5-one
MOLECULAR FORMULA: C22H18N2O
MOLECULAR WEIGHT: 326.39112
SMILES: C1=CC=C(C=C1)[C@@H]2C=C(C(=O)N2C3=CC=CC=C3)NC4=CC=CC=C4
Structure:

CAS RN: 5468-12-2
CAS Name: (2R)-4-anilino-1,2-diphenyl-2H-pyrrol-5-one
OPENEYE Name: (2R)-4-anilino-1,2-diphenyl-2H-pyrrol-5-one
IUPAC Name: (2R)-4-anilino-1,2-diphenyl-2H-pyrrol-5-one
SYSTEMATIC NAME: (2R)-1,2-diphenyl-4-phenylazanyl-2H-pyrrol-5-one
MOLECULAR FORMULA: C22H18N2O
MOLECULAR WEIGHT: 326.39112
SMILES: C1=CC=C(C=C1)[C@H]2C=C(C(=O)N2C3=CC=CC=C3)NC4=CC=CC=C4
Structure:

CAS RN: 52659-52-6
CAS Name: (2S)-2-(2-naphthalenyloxymethyl)oxirane
OPENEYE Name: (2S)-2-(2-naphthyloxymethyl)oxirane
IUPAC Name: (2S)-2-(naphthalen-2-yloxymethyl)oxirane
SYSTEMATIC NAME: (2S)-2-(naphthalen-2-yloxymethyl)oxirane
MOLECULAR FORMULA: C13H12O2
MOLECULAR WEIGHT: 200.23318
SMILES: C1[C@H](O1)COC2=CC3=CC=CC=C3C=C2
Structure:

CAS RN: 52657-63-3
CAS Name: (2R)-2-(2-naphthalenyloxymethyl)oxirane
OPENEYE Name: (2R)-2-(2-naphthyloxymethyl)oxirane
IUPAC Name: (2R)-2-(naphthalen-2-yloxymethyl)oxirane
SYSTEMATIC NAME: (2R)-2-(naphthalen-2-yloxymethyl)oxirane
MOLECULAR FORMULA: C13H12O2
MOLECULAR WEIGHT: 200.23318
SMILES: C1[C@@H](O1)COC2=CC3=CC=CC=C3C=C2
Structure:

CAS RN: 5760-40-7
CAS Name: 2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2,6-dimethyl-4-(p-tolyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: dimethyl 2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: CC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC
Structure:

CAS RN: 152881-17-9
CAS Name: (2S)-2-(2,4-dichlorophenoxy)propanehydrazide
OPENEYE Name: (2S)-2-(2,4-dichlorophenoxy)propanehydrazide
IUPAC Name: (2S)-2-(2,4-dichlorophenoxy)propanehydrazide
SYSTEMATIC NAME: (2S)-2-[2,4-bis(chloranyl)phenoxy]propanehydrazide
MOLECULAR FORMULA: C9H10Cl2N2O2
MOLECULAR WEIGHT: 249.0939
SMILES: C[C@@H](C(=O)NN)OC1=C(C=C(C=C1)Cl)Cl
Structure:

CAS RN: 15288-08-1
CAS Name: (2R)-2-(2,4-dichlorophenoxy)propanehydrazide
OPENEYE Name: (2R)-2-(2,4-dichlorophenoxy)propanehydrazide
IUPAC Name: (2R)-2-(2,4-dichlorophenoxy)propanehydrazide
SYSTEMATIC NAME: (2R)-2-[2,4-bis(chloranyl)phenoxy]propanehydrazide
MOLECULAR FORMULA: C9H10Cl2N2O2
MOLECULAR WEIGHT: 249.0939
SMILES: C[C@H](C(=O)NN)OC1=C(C=C(C=C1)Cl)Cl
Structure:

CAS RN: 38454-29-4
CAS Name: 2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C10H10N2OS2
MOLECULAR WEIGHT: 238.3292
SMILES: C1CCC2=C(C1)C3=C(S2)NC(=S)NC3=O
Structure:

CAS RN: 5410-07-1
CAS Name: (3R)-3-phenyl-3H-isobenzofuran-1-one
OPENEYE Name: (3R)-3-phenyl-3H-isobenzofuran-1-one
IUPAC Name: (3R)-3-phenyl-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3R)-3-phenyl-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C14H10O2
MOLECULAR WEIGHT: 210.228
SMILES: C1=CC=C(C=C1)[C@@H]2C3=CC=CC=C3C(=O)O2
Structure:

CAS RN: 5398-11-8
CAS Name: (3R)-3-phenyl-3H-isobenzofuran-1-one
OPENEYE Name: (3R)-3-phenyl-3H-isobenzofuran-1-one
IUPAC Name: (3R)-3-phenyl-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3R)-3-phenyl-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C14H10O2
MOLECULAR WEIGHT: 210.228
SMILES: C1=CC=C(C=C1)[C@@H]2C3=CC=CC=C3C(=O)O2
Structure:

CAS RN: 5410-05-9
CAS Name: (3S)-3-phenyl-3H-isobenzofuran-1-one
OPENEYE Name: (3S)-3-phenyl-3H-isobenzofuran-1-one
IUPAC Name: (3S)-3-phenyl-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3S)-3-phenyl-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C14H10O2
MOLECULAR WEIGHT: 210.228
SMILES: C1=CC=C(C=C1)[C@H]2C3=CC=CC=C3C(=O)O2
Structure:

CAS RN: 5398-11-8
CAS Name: (3S)-3-phenyl-3H-isobenzofuran-1-one
OPENEYE Name: (3S)-3-phenyl-3H-isobenzofuran-1-one
IUPAC Name: (3S)-3-phenyl-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3S)-3-phenyl-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C14H10O2
MOLECULAR WEIGHT: 210.228
SMILES: C1=CC=C(C=C1)[C@H]2C3=CC=CC=C3C(=O)O2
Structure:

CAS RN: 3096-56-8
CAS Name: 2-bromo-9-fluorenone
OPENEYE Name: 2-bromofluoren-9-one
IUPAC Name: 2-bromofluoren-9-one
SYSTEMATIC NAME: 2-bromanylfluoren-9-one
MOLECULAR FORMULA: C13H7BrO
MOLECULAR WEIGHT: 259.09808
SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)Br
Structure:

CAS RN: 311-86-4
CAS Name: 2-bromo-9-fluorenone
OPENEYE Name: 2-bromofluoren-9-one
IUPAC Name: 2-bromofluoren-9-one
SYSTEMATIC NAME: 2-bromanylfluoren-9-one
MOLECULAR FORMULA: C13H7BrO
MOLECULAR WEIGHT: 259.09808
SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)Br
Structure:

CAS RN: 61727-33-1
CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid
OPENEYE Name: 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylic acid
IUPAC Name: 5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid
SYSTEMATIC NAME: 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid
MOLECULAR FORMULA: C6H5ClN2O2S
MOLECULAR WEIGHT: 204.6341
SMILES: CSC1=NC=C(C(=N1)C(=O)O)Cl
Structure:

CAS RN: 6047-28-5
CAS Name: 2-[(1-oxo-3-phenoxypropyl)amino]benzoic acid methyl ester
OPENEYE Name: methyl 2-(3-phenoxypropanoylamino)benzoate
IUPAC Name: methyl 2-(3-phenoxypropanoylamino)benzoate
SYSTEMATIC NAME: methyl 2-(3-phenoxypropanoylamino)benzoate
MOLECULAR FORMULA: C17H17NO4
MOLECULAR WEIGHT: 299.32118
SMILES: COC(=O)C1=CC=CC=C1NC(=O)CCOC2=CC=CC=C2
Structure:

CAS RN: 103788-65-4
CAS Name: 2-(5-methyl-2-phenyl-4-oxazolyl)ethanol
OPENEYE Name: 2-(5-methyl-2-phenyl-oxazol-4-yl)ethanol
IUPAC Name: 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanol
SYSTEMATIC NAME: 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanol
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)CCO
Structure:

CAS RN: 709-79-5
CAS Name: (Z)-2-cyano-3-phenyl-2-propenamide
OPENEYE Name: (Z)-2-cyano-3-phenyl-prop-2-enamide
IUPAC Name: (Z)-2-cyano-3-phenylprop-2-enamide
SYSTEMATIC NAME: (Z)-2-cyano-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C10H8N2O
MOLECULAR WEIGHT: 172.18332
SMILES: C1=CC=C(C=C1)/C=C(/C#N)\C(=O)N
Structure:

CAS RN: 7148-00-7
CAS Name: (E)-2-cyano-3-phenyl-2-propenamide
OPENEYE Name: (E)-2-cyano-3-phenyl-prop-2-enamide
IUPAC Name: (E)-2-cyano-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C10H8N2O
MOLECULAR WEIGHT: 172.18332
SMILES: C1=CC=C(C=C1)/C=C(\C#N)/C(=O)N
Structure:

CAS RN: 709-79-5
CAS Name: (E)-2-cyano-3-phenyl-2-propenamide
OPENEYE Name: (E)-2-cyano-3-phenyl-prop-2-enamide
IUPAC Name: (E)-2-cyano-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C10H8N2O
MOLECULAR WEIGHT: 172.18332
SMILES: C1=CC=C(C=C1)/C=C(\C#N)/C(=O)N
Structure:

CAS RN: 79623-37-3
CAS Name: 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one
OPENEYE Name: 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one
IUPAC Name: 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one
SYSTEMATIC NAME: 3-chloranyl-5-(trifluoromethyl)-1H-pyridin-2-one
MOLECULAR FORMULA: C6H3ClF3NO
MOLECULAR WEIGHT: 197.54233
SMILES: C1=C(C(=O)NC=C1C(F)(F)F)Cl
Structure:

CAS RN: 27104-73-0
CAS Name: 3-isoquinolinecarboxylic acid methyl ester
OPENEYE Name: methyl isoquinoline-3-carboxylate
IUPAC Name: methyl isoquinoline-3-carboxylate
SYSTEMATIC NAME: methyl isoquinoline-3-carboxylate
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: COC(=O)C1=CC2=CC=CC=C2C=N1
Structure:

CAS RN: 2794-20-9
CAS Name: (2S)-2-hydroxy-1,2-dithiophen-2-ylethanone
OPENEYE Name: (2S)-2-hydroxy-1,2-bis(2-thienyl)ethanone
IUPAC Name: (2S)-2-hydroxy-1,2-dithiophen-2-ylethanone
SYSTEMATIC NAME: (2S)-2-oxidanyl-1,2-dithiophen-2-yl-ethanone
MOLECULAR FORMULA: C10H8O2S2
MOLECULAR WEIGHT: 224.29932
SMILES: C1=CSC(=C1)[C@H](C(=O)C2=CC=CS2)O
Structure:

CAS RN: 27939-30-6
CAS Name: (2R)-2-hydroxy-1,2-dithiophen-2-ylethanone
OPENEYE Name: (2R)-2-hydroxy-1,2-bis(2-thienyl)ethanone
IUPAC Name: (2R)-2-hydroxy-1,2-dithiophen-2-ylethanone
SYSTEMATIC NAME: (2R)-2-oxidanyl-1,2-dithiophen-2-yl-ethanone
MOLECULAR FORMULA: C10H8O2S2
MOLECULAR WEIGHT: 224.29932
SMILES: C1=CSC(=C1)[C@@H](C(=O)C2=CC=CS2)O
Structure:

CAS RN: 34801-14-4
CAS Name: 4-(5-bromo-2-thiophenyl)-2-thiazolamine
OPENEYE Name: 4-(5-bromo-2-thienyl)thiazol-2-amine
IUPAC Name: 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(5-bromanylthiophen-2-yl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C7H5BrN2S2
MOLECULAR WEIGHT: 261.162
SMILES: C1=C(SC(=C1)Br)C2=CSC(=N2)N
Structure:

CAS RN: 114566-47-1
CAS Name: 6-[2-(4-chlorophenyl)-4-thiazolyl]-4H-1,4-benzoxazin-3-one
OPENEYE Name: 6-[2-(4-chlorophenyl)thiazol-4-yl]-4H-1,4-benzoxazin-3-one
IUPAC Name: 6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C17H11ClN2O2S
MOLECULAR WEIGHT: 342.79944
SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC(=N3)C4=CC=C(C=C4)Cl
Structure:

CAS RN: 350989-99-0
CAS Name: 2-amino-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-4-(4-ethylphenyl)thiophene-3-carboxylate
IUPAC Name: ethyl 2-amino-4-(4-ethylphenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-4-(4-ethylphenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C15H17NO2S
MOLECULAR WEIGHT: 275.36598
SMILES: CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)N
Structure:

CAS RN: 56962-08-4
CAS Name: 1-(4-chlorophenyl)-2-[(1-methyl-2-imidazolyl)thio]ethanone
OPENEYE Name: 1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanone
IUPAC Name: 1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C12H11ClN2OS
MOLECULAR WEIGHT: 266.74654
SMILES: CN1C=CN=C1SCC(=O)C2=CC=C(C=C2)Cl
Structure:

CAS RN: 555-90-8
CAS Name: (3-pyridinylmethylideneamino)thiourea
OPENEYE Name: (3-pyridylmethyleneamino)thiourea
IUPAC Name: (pyridin-3-ylmethylideneamino)thiourea
SYSTEMATIC NAME: 1-(pyridin-3-ylmethylideneamino)thiourea
MOLECULAR FORMULA: C7H8N4S
MOLECULAR WEIGHT: 180.23022
SMILES: C1=CC(=CN=C1)C=NNC(=S)N
Structure:

CAS RN: 137987-85-0
CAS Name: 1-(2,4-dihydroxyphenyl)-2-(3-methylphenoxy)ethanone
OPENEYE Name: 1-(2,4-dihydroxyphenyl)-2-(3-methylphenoxy)ethanone
IUPAC Name: 1-(2,4-dihydroxyphenyl)-2-(3-methylphenoxy)ethanone
SYSTEMATIC NAME: 1-[2,4-bis(oxidanyl)phenyl]-2-(3-methylphenoxy)ethanone
MOLECULAR FORMULA: C15H14O4
MOLECULAR WEIGHT: 258.26926
SMILES: CC1=CC(=CC=C1)OCC(=O)C2=C(C=C(C=C2)O)O
Structure:

CAS RN: 65599-34-0
CAS Name: 1-(4-chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
OPENEYE Name: 1-(4-chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
IUPAC Name: 1-(4-chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
MOLECULAR FORMULA: C15H11ClO3
MOLECULAR WEIGHT: 274.69904
SMILES: C1=CC=C(C(=C1)C(=O)CC(=O)C2=CC=C(C=C2)Cl)O
Structure:

CAS RN: 51052-02-9
CAS Name: 1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
OPENEYE Name: 1-(5-chloro-2-hydroxy-phenyl)-3-phenyl-propane-1,3-dione
IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
SYSTEMATIC NAME: 1-(5-chloranyl-2-oxidanyl-phenyl)-3-phenyl-propane-1,3-dione
MOLECULAR FORMULA: C15H11ClO3
MOLECULAR WEIGHT: 274.69904
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=C(C=CC(=C2)Cl)O
Structure:

CAS RN: 275826-36-3
CAS Name: (3S)-3-amino-3-(4-bromophenyl)propanoic acid
OPENEYE Name: (3S)-3-amino-3-(4-bromophenyl)propanoic acid
IUPAC Name: (3S)-3-amino-3-(4-bromophenyl)propanoic acid
SYSTEMATIC NAME: (3S)-3-azanyl-3-(4-bromophenyl)propanoic acid
MOLECULAR FORMULA: C9H10BrNO2
MOLECULAR WEIGHT: 244.0852
SMILES: C1=CC(=CC=C1[C@H](CC(=O)O)N)Br
Structure:

CAS RN: 40074-68-8
CAS Name: (3R)-3-amino-3-(4-bromophenyl)propanoic acid
OPENEYE Name: (3R)-3-amino-3-(4-bromophenyl)propanoic acid
IUPAC Name: (3R)-3-amino-3-(4-bromophenyl)propanoic acid
SYSTEMATIC NAME: (3R)-3-azanyl-3-(4-bromophenyl)propanoic acid
MOLECULAR FORMULA: C9H10BrNO2
MOLECULAR WEIGHT: 244.0852
SMILES: C1=CC(=CC=C1[C@@H](CC(=O)O)N)Br
Structure:

CAS RN: 73874-95-0
CAS Name: N-(4-piperidinyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(4-piperidyl)carbamate
IUPAC Name: tert-butyl N-piperidin-4-ylcarbamate
SYSTEMATIC NAME: tert-butyl N-piperidin-4-ylcarbamate
MOLECULAR FORMULA: C10H20N2O2
MOLECULAR WEIGHT: 200.278
SMILES: CC(C)(C)OC(=O)NC1CCNCC1
Structure:

CAS RN: 1203-95-8
CAS Name: 2-(5-chloro-2-methyl-1H-indol-3-yl)ethanamine
OPENEYE Name: 2-(5-chloro-2-methyl-1H-indol-3-yl)ethanamine
IUPAC Name: 2-(5-chloro-2-methyl-1H-indol-3-yl)ethanamine
SYSTEMATIC NAME: 2-(5-chloranyl-2-methyl-1H-indol-3-yl)ethanamine
MOLECULAR FORMULA: C11H13ClN2
MOLECULAR WEIGHT: 208.68732
SMILES: CC1=C(C2=C(N1)C=CC(=C2)Cl)CCN
Structure:

No comments:

Post a Comment