Saturday, April 28, 2012

http://ChemLookup.com Compounds




CAS RN: 1728-88-7
CAS Name: 8-methoxy-2-oxo-1-benzopyran-3-carboxamide
OPENEYE Name: 8-methoxy-2-oxo-chromene-3-carboxamide
IUPAC Name: 8-methoxy-2-oxochromene-3-carboxamide
SYSTEMATIC NAME: 8-methoxy-2-oxidanylidene-chromene-3-carboxamide
MOLECULAR FORMULA: C11H9NO4
MOLECULAR WEIGHT: 219.19346
SMILES: COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N
Structure:

CAS RN: 56629-40-4
CAS Name: 5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine
OPENEYE Name: 5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine
IUPAC Name: 5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine
SYSTEMATIC NAME: 5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine
MOLECULAR FORMULA: C13H11N3O
MOLECULAR WEIGHT: 225.24594
SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC(=C3)N)N
Structure:

CAS RN: 335215-60-6
CAS Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[(4-chloranylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C11H12ClN3OS
MOLECULAR WEIGHT: 269.75048
SMILES: CCN1C(=NNC1=S)COC2=CC=C(C=C2)Cl
Structure:

CAS RN: 61522-53-0
CAS Name: 4-amino-3-(2-bromophenyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-amino-3-(2-bromophenyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-amino-3-(2-bromophenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-azanyl-3-(2-bromophenyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C8H7BrN4S
MOLECULAR WEIGHT: 271.13698
SMILES: C1=CC=C(C(=C1)C2=NNC(=S)N2N)Br
Structure:

CAS RN: 131817-93-1
CAS Name: 2-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]thio]acetic acid
OPENEYE Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylacetic acid
IUPAC Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylethanoic acid
MOLECULAR FORMULA: C14H15NO2S
MOLECULAR WEIGHT: 261.3394
SMILES: CC1=CC=C(N1C2=CC=C(C=C2)SCC(=O)O)C
Structure:

CAS RN: 26165-63-9
CAS Name: 2-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]acetic acid
OPENEYE Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]acetic acid
IUPAC Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethanoic acid
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: CC1=CC=C(N1C2=CC=C(C=C2)CC(=O)O)C
Structure:

CAS RN: 340311-70-8
CAS Name: 5-bromo-2-(2,5-dimethyl-1-pyrrolyl)benzoic acid
OPENEYE Name: 5-bromo-2-(2,5-dimethylpyrrol-1-yl)benzoic acid
IUPAC Name: 5-bromo-2-(2,5-dimethylpyrrol-1-yl)benzoic acid
SYSTEMATIC NAME: 5-bromanyl-2-(2,5-dimethylpyrrol-1-yl)benzoic acid
MOLECULAR FORMULA: C13H12BrNO2
MOLECULAR WEIGHT: 294.14388
SMILES: CC1=CC=C(N1C2=C(C=C(C=C2)Br)C(=O)O)C
Structure:

CAS RN: 322412-27-1
CAS Name: 3-(3-methylphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-allyl-3-(m-tolyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(3-methylphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(3-methylphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C12H13N3S
MOLECULAR WEIGHT: 231.31672
SMILES: CC1=CC=CC(=C1)C2=NNC(=S)N2CC=C
Structure:

CAS RN: 54995-51-6
CAS Name: 3-(3-methylphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-allyl-3-(m-tolyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(3-methylphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(3-methylphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C12H13N3S
MOLECULAR WEIGHT: 231.31672
SMILES: CC1=CC=CC(=C1)C2=NNC(=S)N2CC=C
Structure:

CAS RN: 340309-41-3
CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-5-hydroxybenzoic acid
OPENEYE Name: 2-(2,5-dimethylpyrrol-1-yl)-5-hydroxy-benzoic acid
IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-5-hydroxybenzoic acid
SYSTEMATIC NAME: 2-(2,5-dimethylpyrrol-1-yl)-5-oxidanyl-benzoic acid
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: CC1=CC=C(N1C2=C(C=C(C=C2)O)C(=O)O)C
Structure:

CAS RN: 75843-50-4
CAS Name: 2-(4-tert-butylphenoxy)acetohydrazide
OPENEYE Name: 2-(4-tert-butylphenoxy)acetohydrazide
IUPAC Name: 2-(4-tert-butylphenoxy)acetohydrazide
SYSTEMATIC NAME: 2-(4-tert-butylphenoxy)ethanehydrazide
MOLECULAR FORMULA: C12H18N2O2
MOLECULAR WEIGHT: 222.28352
SMILES: CC(C)(C)C1=CC=C(C=C1)OCC(=O)NN
Structure:

CAS RN: 7665-66-9
CAS Name: 2-(4-tert-butylphenoxy)acetohydrazide
OPENEYE Name: 2-(4-tert-butylphenoxy)acetohydrazide
IUPAC Name: 2-(4-tert-butylphenoxy)acetohydrazide
SYSTEMATIC NAME: 2-(4-tert-butylphenoxy)ethanehydrazide
MOLECULAR FORMULA: C12H18N2O2
MOLECULAR WEIGHT: 222.28352
SMILES: CC(C)(C)C1=CC=C(C=C1)OCC(=O)NN
Structure:

CAS RN: 123769-39-1
CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone
OPENEYE Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone
IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C17H16O4
MOLECULAR WEIGHT: 284.30654
SMILES: COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCCCO3
Structure:

CAS RN: 5303-32-2
CAS Name: 1-[(3,4-dichloroanilino)methyl]pyrrolidine-2,5-dione
OPENEYE Name: 1-[(3,4-dichloroanilino)methyl]pyrrolidine-2,5-dione
IUPAC Name: 1-[(3,4-dichloroanilino)methyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[[(3,4-dichlorophenyl)amino]methyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C11H10Cl2N2O2
MOLECULAR WEIGHT: 273.1153
SMILES: C1CC(=O)N(C1=O)CNC2=CC(=C(C=C2)Cl)Cl
Structure:

CAS RN: 37412-64-9
CAS Name: (4-methoxyphenyl)methylthiourea
OPENEYE Name: (4-methoxyphenyl)methylthiourea
IUPAC Name: (4-methoxyphenyl)methylthiourea
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methyl]thiourea
MOLECULAR FORMULA: C9H12N2OS
MOLECULAR WEIGHT: 196.26938
SMILES: COC1=CC=C(C=C1)CNC(=S)N
Structure:

CAS RN: 6281-64-7
CAS Name: N-[[4-(dimethylamino)anilino]-sulfanylidenemethyl]benzamide
OPENEYE Name: N-[[4-(dimethylamino)phenyl]carbamothioyl]benzamide
IUPAC Name: N-[[4-(dimethylamino)phenyl]carbamothioyl]benzamide
SYSTEMATIC NAME: N-[[4-(dimethylamino)phenyl]carbamothioyl]benzamide
MOLECULAR FORMULA: C16H17N3OS
MOLECULAR WEIGHT: 299.39068
SMILES: CN(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2
Structure:

CAS RN: 14779-25-0
CAS Name: (E)-3-(5-methyl-2-furanyl)-2-propenoic acid
OPENEYE Name: (E)-3-(5-methyl-2-furyl)prop-2-enoic acid
IUPAC Name: (E)-3-(5-methylfuran-2-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(5-methylfuran-2-yl)prop-2-enoic acid
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: CC1=CC=C(O1)/C=C/C(=O)O
Structure:

CAS RN: 101019-03-8
CAS Name: 3,4-dihydro-2H-1-benzopyran-6-yl-(4-fluorophenyl)methanone
OPENEYE Name: chroman-6-yl-(4-fluorophenyl)methanone
IUPAC Name: 3,4-dihydro-2H-chromen-6-yl-(4-fluorophenyl)methanone
SYSTEMATIC NAME: 3,4-dihydro-2H-chromen-6-yl-(4-fluorophenyl)methanone
MOLECULAR FORMULA: C16H13FO2
MOLECULAR WEIGHT: 256.271623
SMILES: C1CC2=C(C=CC(=C2)C(=O)C3=CC=C(C=C3)F)OC1
Structure:

CAS RN: 123769-35-7
CAS Name: (2-chlorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
OPENEYE Name: (2-chlorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
IUPAC Name: (2-chlorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
SYSTEMATIC NAME: (2-chlorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
MOLECULAR FORMULA: C16H13ClO3
MOLECULAR WEIGHT: 288.72562
SMILES: C1COC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3Cl)OC1
Structure:

CAS RN: 5983-01-7
CAS Name: (4-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
OPENEYE Name: (4-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
IUPAC Name: (4-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
SYSTEMATIC NAME: (4-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
MOLECULAR FORMULA: C16H13BrO3
MOLECULAR WEIGHT: 333.17662
SMILES: C1COC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Br)OC1
Structure:

CAS RN: 123769-34-6
CAS Name: (4-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
OPENEYE Name: (4-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
IUPAC Name: (4-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
SYSTEMATIC NAME: (4-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
MOLECULAR FORMULA: C16H13BrO3
MOLECULAR WEIGHT: 333.17662
SMILES: C1COC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Br)OC1
Structure:

CAS RN: 5957-43-7
CAS Name: N-[11-(methylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[11-(methylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
IUPAC Name: ethyl N-[11-(methylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[11-(methylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
MOLECULAR FORMULA: C19H21N3O3
MOLECULAR WEIGHT: 339.38834
SMILES: CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)NC)C=C1
Structure:

CAS RN: 135840-47-0
CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
OPENEYE Name: 4,5,6,7-tetrahydrobenzothiophene-3-carbohydrazide
IUPAC Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
SYSTEMATIC NAME: 4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
MOLECULAR FORMULA: C9H12N2OS
MOLECULAR WEIGHT: 196.26938
SMILES: C1CCC2=C(C1)C(=CS2)C(=O)NN
Structure:

CAS RN: 5396-64-5
CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
IUPAC Name: methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)OC)OC
Structure:

CAS RN: 3724-61-6
CAS Name: 1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione
IUPAC Name: 1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[2,5-bis(chloranyl)phenyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C10H7Cl2NO2
MOLECULAR WEIGHT: 244.07408
SMILES: C1CC(=O)N(C1=O)C2=C(C=CC(=C2)Cl)Cl
Structure:

CAS RN: 41957-91-9
CAS Name: 2-chloro-4-methyl-6-quinolinol
OPENEYE Name: 2-chloro-4-methyl-quinolin-6-ol
IUPAC Name: 2-chloro-4-methylquinolin-6-ol
SYSTEMATIC NAME: 2-chloranyl-4-methyl-quinolin-6-ol
MOLECULAR FORMULA: C10H8ClNO
MOLECULAR WEIGHT: 193.62962
SMILES: CC1=CC(=NC2=C1C=C(C=C2)O)Cl
Structure:

CAS RN: 722-03-2
CAS Name: 1-cyclohexyl-3-phenylthiourea
OPENEYE Name: 1-cyclohexyl-3-phenyl-thiourea
IUPAC Name: 1-cyclohexyl-3-phenylthiourea
SYSTEMATIC NAME: 1-cyclohexyl-3-phenyl-thiourea
MOLECULAR FORMULA: C13H18N2S
MOLECULAR WEIGHT: 234.36042
SMILES: C1CCC(CC1)NC(=S)NC2=CC=CC=C2
Structure:

CAS RN: 15093-57-9
CAS Name: 1-cyclohexyl-3-phenylthiourea
OPENEYE Name: 1-cyclohexyl-3-phenyl-thiourea
IUPAC Name: 1-cyclohexyl-3-phenylthiourea
SYSTEMATIC NAME: 1-cyclohexyl-3-phenyl-thiourea
MOLECULAR FORMULA: C13H18N2S
MOLECULAR WEIGHT: 234.36042
SMILES: C1CCC(CC1)NC(=S)NC2=CC=CC=C2
Structure:

CAS RN: 4293-57-6
CAS Name: 1-(4-morpholinyl)-1-cyclohexanecarbonitrile
OPENEYE Name: 1-morpholinocyclohexanecarbonitrile
IUPAC Name: 1-morpholin-4-ylcyclohexane-1-carbonitrile
SYSTEMATIC NAME: 1-morpholin-4-ylcyclohexane-1-carbonitrile
MOLECULAR FORMULA: C11H18N2O
MOLECULAR WEIGHT: 194.27342
SMILES: C1CCC(CC1)(C#N)N2CCOCC2
Structure:

CAS RN: 69978-45-6
CAS Name: 10-methyl-1,4,7-trioxa-10-azacyclododecane
OPENEYE Name: 10-methyl-1,4,7-trioxa-10-azacyclododecane
IUPAC Name: 10-methyl-1,4,7-trioxa-10-azacyclododecane
SYSTEMATIC NAME: 10-methyl-1,4,7-trioxa-10-azacyclododecane
MOLECULAR FORMULA: C9H19NO3
MOLECULAR WEIGHT: 189.25206
SMILES: CN1CCOCCOCCOCC1
Structure:

CAS RN: 5627-69-0
CAS Name: 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate
IUPAC Name: ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 6-nitro-2-oxidanylidene-4-phenyl-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C18H14N2O5
MOLECULAR WEIGHT: 338.31416
SMILES: CCOC(=O)C1=C(C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O)C3=CC=CC=C3
Structure:

CAS RN: 5396-22-5
CAS Name: (E)-N-(4-chlorophenyl)-3-phenyl-2-propenamide
OPENEYE Name: (E)-N-(4-chlorophenyl)-3-phenyl-prop-2-enamide
IUPAC Name: (E)-N-(4-chlorophenyl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(4-chlorophenyl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C15H12ClNO
MOLECULAR WEIGHT: 257.71488
SMILES: C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)Cl
Structure:

CAS RN: 10520-98-6
CAS Name: N-(benzenesulfonyl)benzenecarbothioamide
OPENEYE Name: N-(benzenesulfonyl)benzenecarbothioamide
IUPAC Name: N-(benzenesulfonyl)benzenecarbothioamide
SYSTEMATIC NAME: N-(phenylsulfonyl)benzenecarbothioamide
MOLECULAR FORMULA: C13H11NO2S2
MOLECULAR WEIGHT: 277.36194
SMILES: C1=CC=C(C=C1)C(=S)NS(=O)(=O)C2=CC=CC=C2
Structure:

CAS RN: 50907-23-8
CAS Name: 5-(4-bromophenyl)-2H-tetrazole
OPENEYE Name: 5-(4-bromophenyl)-2H-tetrazole
IUPAC Name: 5-(4-bromophenyl)-2H-tetrazole
SYSTEMATIC NAME: 5-(4-bromophenyl)-2H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C7H5BrN4
MOLECULAR WEIGHT: 225.0454
SMILES: C1=CC(=CC=C1C2=NNN=N2)Br
Structure:

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