ChemLookup: April 2012

Monday, April 30, 2012

http://ChemLookup.com Compounds

CAS RN: 38925-70-1
CAS Name: 2-chloro-N-(2-phenylethyl)benzamide
OPENEYE Name: 2-chloro-N-(2-phenylethyl)benzamide
IUPAC Name: 2-chloro-N-(2-phenylethyl)benzamide
SYSTEMATIC NAME: 2-chloranyl-N-(2-phenylethyl)benzamide
MOLECULAR FORMULA: C15H14ClNO
MOLECULAR WEIGHT: 259.73076
SMILES: C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2Cl
Structure:

CAS RN: 53941-38-1
CAS Name: 4-methyl-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide
OPENEYE Name: 4-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide
IUPAC Name: 4-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: 4-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C15H13N3O3S
MOLECULAR WEIGHT: 315.34702
SMILES: CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]
Structure:

CAS RN: 5365-68-4
CAS Name: 4-[(4-fluorophenyl)-oxomethyl]-1,3-dihydroquinoxalin-2-one
OPENEYE Name: 4-(4-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
IUPAC Name: 4-(4-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
SYSTEMATIC NAME: 4-(4-fluorophenyl)carbonyl-1,3-dihydroquinoxalin-2-one
MOLECULAR FORMULA: C15H11FN2O2
MOLECULAR WEIGHT: 270.258443
SMILES: C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)F
Structure:

CAS RN: 53359-09-4
CAS Name: [4-(dimethylamino)phenyl]-(1-piperidinyl)methanethione
OPENEYE Name: [4-(dimethylamino)phenyl]-(1-piperidyl)methanethione
IUPAC Name: [4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione
SYSTEMATIC NAME: [4-(dimethylamino)phenyl]-piperidin-1-yl-methanethione
MOLECULAR FORMULA: C14H20N2S
MOLECULAR WEIGHT: 248.387
SMILES: CN(C)C1=CC=C(C=C1)C(=S)N2CCCCC2
Structure:

CAS RN: 121952-97-4
CAS Name: 5-(phenylmethyl)-2-thiazolamine
OPENEYE Name: 5-benzylthiazol-2-amine
IUPAC Name: 5-benzyl-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-(phenylmethyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C10H10N2S
MOLECULAR WEIGHT: 190.2648
SMILES: C1=CC=C(C=C1)CC2=CN=C(S2)N
Structure:

CAS RN: 1627-73-2
CAS Name: [(phenylmethylene)amino]thiourea
OPENEYE Name: (benzylideneamino)thiourea
IUPAC Name: (benzylideneamino)thiourea
SYSTEMATIC NAME: 1-[(phenylmethylidene)amino]thiourea
MOLECULAR FORMULA: C8H9N3S
MOLECULAR WEIGHT: 179.24216
SMILES: C1=CC=C(C=C1)C=NNC(=S)N
Structure:

CAS RN: 5554-56-3
CAS Name: 3-methyl-4-nitrobenzoic acid 8-quinolinyl ester
OPENEYE Name: 8-quinolyl 3-methyl-4-nitro-benzoate
IUPAC Name: quinolin-8-yl 3-methyl-4-nitrobenzoate
SYSTEMATIC NAME: quinolin-8-yl 3-methyl-4-nitro-benzoate
MOLECULAR FORMULA: C17H12N2O4
MOLECULAR WEIGHT: 308.28818
SMILES: CC1=C(C=CC(=C1)C(=O)OC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]
Structure:

CAS RN: 5493-27-6
CAS Name: 1-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-1-methylhydrazine
OPENEYE Name: 1-(4,6-dimorpholino-1,3,5-triazin-2-yl)-1-methyl-hydrazine
IUPAC Name: 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1-methylhydrazine
SYSTEMATIC NAME: 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1-methyl-diazane
MOLECULAR FORMULA: C12H21N7O2
MOLECULAR WEIGHT: 295.34084
SMILES: CN(C1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3)N
Structure:

CAS RN: 5416-83-1
CAS Name: (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(4-morpholinyl)-4-thiazolone
OPENEYE Name: (5E)-5-[[4-(diethylamino)phenyl]methylene]-2-morpholino-thiazol-4-one
IUPAC Name: (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SYSTEMATIC NAME: (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
MOLECULAR FORMULA: C18H23N3O2S
MOLECULAR WEIGHT: 345.45912
SMILES: CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)N=C(S2)N3CCOCC3
Structure:

CAS RN: 63704-48-3
CAS Name: 3-(2-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
OPENEYE Name: 3-(2-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
IUPAC Name: 3-(2-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 3-(2-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C13H16N2OS
MOLECULAR WEIGHT: 248.34394
SMILES: CC1=CC(NC(=S)N1C2=CC=CC=C2O)(C)C
Structure:

CAS RN: 238742-83-1
CAS Name: 4-tert-butyl-6-(trifluoromethyl)-2-pyrimidinamine
OPENEYE Name: 4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-amine
IUPAC Name: 4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-amine
SYSTEMATIC NAME: 4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-amine
MOLECULAR FORMULA: C9H12F3N3
MOLECULAR WEIGHT: 219.20689
SMILES: CC(C)(C)C1=CC(=NC(=N1)N)C(F)(F)F
Structure:

CAS RN: 38875-53-5
CAS Name: 5-bromopyridine-2,3-diamine
OPENEYE Name: 5-bromopyridine-2,3-diamine
IUPAC Name: 5-bromopyridine-2,3-diamine
SYSTEMATIC NAME: 5-bromanylpyridine-2,3-diamine
MOLECULAR FORMULA: C5H6BrN3
MOLECULAR WEIGHT: 188.02524
SMILES: C1=C(C(=NC=C1Br)N)N
Structure:

CAS RN: 16619-19-5
CAS Name: (E)-1-(4-morpholinyl)-3-phenyl-2-propen-1-one
OPENEYE Name: (E)-1-morpholino-3-phenyl-prop-2-en-1-one
IUPAC Name: (E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-morpholin-4-yl-3-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C13H15NO2
MOLECULAR WEIGHT: 217.2637
SMILES: C1COCCN1C(=O)/C=C/C2=CC=CC=C2
Structure:

CAS RN: 21953-91-3
CAS Name: 2-(4-methoxyphenoxy)acetohydrazide
OPENEYE Name: 2-(4-methoxyphenoxy)acetohydrazide
IUPAC Name: 2-(4-methoxyphenoxy)acetohydrazide
SYSTEMATIC NAME: 2-(4-methoxyphenoxy)ethanehydrazide
MOLECULAR FORMULA: C9H12N2O3
MOLECULAR WEIGHT: 196.20318
SMILES: COC1=CC=C(C=C1)OCC(=O)NN
Structure:

CAS RN: 104246-28-8
CAS Name: 2-chloro-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide
OPENEYE Name: 2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
IUPAC Name: 2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SYSTEMATIC NAME: 2-chloranyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]ethanamide
MOLECULAR FORMULA: C12H11ClN4O3S
MOLECULAR WEIGHT: 326.75874
SMILES: C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCl
Structure:

CAS RN: 76995-67-0
CAS Name: (E)-N-(4-methoxyphenyl)-3-phenyl-2-propenamide
OPENEYE Name: (E)-N-(4-methoxyphenyl)-3-phenyl-prop-2-enamide
IUPAC Name: (E)-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(4-methoxyphenyl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C16H15NO2
MOLECULAR WEIGHT: 253.2958
SMILES: COC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2
Structure:

CAS RN: 73568-25-9
CAS Name: 2-chloro-3-quinolinecarboxaldehyde
OPENEYE Name: 2-chloroquinoline-3-carbaldehyde
IUPAC Name: 2-chloroquinoline-3-carbaldehyde
SYSTEMATIC NAME: 2-chloranylquinoline-3-carbaldehyde
MOLECULAR FORMULA: C10H6ClNO
MOLECULAR WEIGHT: 191.61374
SMILES: C1=CC=C2C(=C1)C=C(C(=N2)Cl)C=O
Structure:

http://ChemLookup.com Compounds

CAS RN: 5360-28-1
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methylphenyl)-2-propenamide
OPENEYE Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(o-tolyl)prop-2-enamide
IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methylphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methylphenyl)prop-2-enamide
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: CC1=CC=CC=C1NC(=O)/C=C/C2=CC3=C(C=C2)OCO3
Structure:

CAS RN: 5394-51-4
CAS Name: (E)-N-(3-chloro-2-methylphenyl)-3-(2-chlorophenyl)-2-propenamide
OPENEYE Name: (E)-N-(3-chloro-2-methyl-phenyl)-3-(2-chlorophenyl)prop-2-enamide
IUPAC Name: (E)-N-(3-chloro-2-methylphenyl)-3-(2-chlorophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-(3-chloranyl-2-methyl-phenyl)-3-(2-chlorophenyl)prop-2-enamide
MOLECULAR FORMULA: C16H13Cl2NO
MOLECULAR WEIGHT: 306.18652
SMILES: CC1=C(C=CC=C1Cl)NC(=O)/C=C/C2=CC=CC=C2Cl
Structure:

CAS RN: 5887-78-5
CAS Name: (E)-3-(4-chlorophenyl)-N-(2-hydroxyphenyl)-2-propenamide
OPENEYE Name: (E)-3-(4-chlorophenyl)-N-(2-hydroxyphenyl)prop-2-enamide
IUPAC Name: (E)-3-(4-chlorophenyl)-N-(2-hydroxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(4-chlorophenyl)-N-(2-hydroxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C15H12ClNO2
MOLECULAR WEIGHT: 273.71428
SMILES: C1=CC=C(C(=C1)NC(=O)/C=C/C2=CC=C(C=C2)Cl)O
Structure:

CAS RN: 5365-92-4
CAS Name: (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2-propenamide
OPENEYE Name: (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
IUPAC Name: (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C17H16ClNO2
MOLECULAR WEIGHT: 301.76744
SMILES: CCOC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)Cl
Structure:

CAS RN: 70627-21-3
CAS Name: 4-[(2-chlorophenyl)methoxy]benzaldehyde
OPENEYE Name: 4-[(2-chlorophenyl)methoxy]benzaldehyde
IUPAC Name: 4-[(2-chlorophenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 4-[(2-chlorophenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C14H11ClO2
MOLECULAR WEIGHT: 246.68894
SMILES: C1=CC=C(C(=C1)COC2=CC=C(C=C2)C=O)Cl
Structure:

CAS RN: 294874-70-7
CAS Name: 3-methyl-5-(2-oxopropyl)-1-phenyl-4-pyrazolecarboxylic acid
OPENEYE Name: 5-acetonyl-3-methyl-1-phenyl-pyrazole-4-carboxylic acid
IUPAC Name: 3-methyl-5-(2-oxopropyl)-1-phenylpyrazole-4-carboxylic acid
SYSTEMATIC NAME: 3-methyl-5-(2-oxidanylidenepropyl)-1-phenyl-pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C14H14N2O3
MOLECULAR WEIGHT: 258.27256
SMILES: CC1=NN(C(=C1C(=O)O)CC(=O)C)C2=CC=CC=C2
Structure:

CAS RN: 6957-85-3
CAS Name: 2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
OPENEYE Name: 2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
IUPAC Name: 2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
SYSTEMATIC NAME: 2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
MOLECULAR FORMULA: C8H5N3S2
MOLECULAR WEIGHT: 207.2754
SMILES: C1=CC=C2C(=C1)N3C(=S)NN=C3S2
Structure:

CAS RN: 72293-68-6
CAS Name: 2-(4-chloro-3-methylphenoxy)acetohydrazide
OPENEYE Name: 2-(4-chloro-3-methyl-phenoxy)acetohydrazide
IUPAC Name: 2-(4-chloro-3-methylphenoxy)acetohydrazide
SYSTEMATIC NAME: 2-(4-chloranyl-3-methyl-phenoxy)ethanehydrazide
MOLECULAR FORMULA: C9H11ClN2O2
MOLECULAR WEIGHT: 214.64884
SMILES: CC1=C(C=CC(=C1)OCC(=O)NN)Cl
Structure:

CAS RN: 72847-47-3
CAS Name: 2-(4-chloro-3-methylphenoxy)acetohydrazide
OPENEYE Name: 2-(4-chloro-3-methyl-phenoxy)acetohydrazide
IUPAC Name: 2-(4-chloro-3-methylphenoxy)acetohydrazide
SYSTEMATIC NAME: 2-(4-chloranyl-3-methyl-phenoxy)ethanehydrazide
MOLECULAR FORMULA: C9H11ClN2O2
MOLECULAR WEIGHT: 214.64884
SMILES: CC1=C(C=CC(=C1)OCC(=O)NN)Cl
Structure:

CAS RN: 156867-62-8
CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide
OPENEYE Name: 2-(4-chloro-3,5-dimethyl-phenoxy)acetohydrazide
IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide
SYSTEMATIC NAME: 2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanehydrazide
MOLECULAR FORMULA: C10H13ClN2O2
MOLECULAR WEIGHT: 228.67542
SMILES: CC1=CC(=CC(=C1Cl)C)OCC(=O)NN
Structure:

CAS RN: 16738-00-4
CAS Name: 2-(4-bromophenoxy)acetohydrazide
OPENEYE Name: 2-(4-bromophenoxy)acetohydrazide
IUPAC Name: 2-(4-bromophenoxy)acetohydrazide
SYSTEMATIC NAME: 2-(4-bromanylphenoxy)ethanehydrazide
MOLECULAR FORMULA: C8H9BrN2O2
MOLECULAR WEIGHT: 245.07326
SMILES: C1=CC(=CC=C1OCC(=O)NN)Br
Structure:

http://ChemLookup.com Compounds

CAS RN: 76835-20-6
CAS Name: 1-(5-chloro-2-methylphenyl)piperazine
OPENEYE Name: 1-(5-chloro-2-methyl-phenyl)piperazine
IUPAC Name: 1-(5-chloro-2-methylphenyl)piperazine
SYSTEMATIC NAME: 1-(5-chloranyl-2-methyl-phenyl)piperazine
MOLECULAR FORMULA: C11H15ClN2
MOLECULAR WEIGHT: 210.7032
SMILES: CC1=C(C=C(C=C1)Cl)N2CCNCC2
Structure:

CAS RN: 92491-19-5
CAS Name: (3S)-1-(phenylmethyl)-3-piperidinol
OPENEYE Name: (3S)-1-benzylpiperidin-3-ol
IUPAC Name: (3S)-1-benzylpiperidin-3-ol
SYSTEMATIC NAME: (3S)-1-(phenylmethyl)piperidin-3-ol
MOLECULAR FORMULA: C12H17NO
MOLECULAR WEIGHT: 191.26948
SMILES: C1C[C@@H](CN(C1)CC2=CC=CC=C2)O
Structure:

CAS RN: 92491-38-8
CAS Name: (3R)-1-(phenylmethyl)-3-piperidinol
OPENEYE Name: (3R)-1-benzylpiperidin-3-ol
IUPAC Name: (3R)-1-benzylpiperidin-3-ol
SYSTEMATIC NAME: (3R)-1-(phenylmethyl)piperidin-3-ol
MOLECULAR FORMULA: C12H17NO
MOLECULAR WEIGHT: 191.26948
SMILES: C1C[C@H](CN(C1)CC2=CC=CC=C2)O
Structure:

CAS RN: 14844-73-6
CAS Name: 2,3-dimethyl-1H-indole-5-carboxylic acid
OPENEYE Name: 2,3-dimethyl-1H-indole-5-carboxylic acid
IUPAC Name: 2,3-dimethyl-1H-indole-5-carboxylic acid
SYSTEMATIC NAME: 2,3-dimethyl-1H-indole-5-carboxylic acid
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: CC1=C(NC2=C1C=C(C=C2)C(=O)O)C
Structure:

CAS RN: 4949-88-6
CAS Name: N-[(2-methylanilino)-sulfanylidenemethyl]benzamide
OPENEYE Name: N-(o-tolylcarbamothioyl)benzamide
IUPAC Name: N-[(2-methylphenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: N-[(2-methylphenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C15H14N2OS
MOLECULAR WEIGHT: 270.34946
SMILES: CC1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC=C2
Structure:

CAS RN: 19235-89-3
CAS Name: 4-chloro-2-pyridinecarbonitrile
OPENEYE Name: 4-chloropyridine-2-carbonitrile
IUPAC Name: 4-chloropyridine-2-carbonitrile
SYSTEMATIC NAME: 4-chloranylpyridine-2-carbonitrile
MOLECULAR FORMULA: C6H3ClN2
MOLECULAR WEIGHT: 138.55442
SMILES: C1=CN=C(C=C1Cl)C#N
Structure:

CAS RN: 52200-48-3
CAS Name: 3-bromo-2-chloropyridine
OPENEYE Name: 3-bromo-2-chloro-pyridine
IUPAC Name: 3-bromo-2-chloropyridine
SYSTEMATIC NAME: 3-bromanyl-2-chloranyl-pyridine
MOLECULAR FORMULA: C5H3BrClN
MOLECULAR WEIGHT: 192.44102
SMILES: C1=CC(=C(N=C1)Cl)Br
Structure:

CAS RN: 31595-63-8
CAS Name: 3-hydrazinyl-1H-quinoxalin-2-one
OPENEYE Name: 3-hydrazino-1H-quinoxalin-2-one
IUPAC Name: 3-hydrazinyl-1H-quinoxalin-2-one
SYSTEMATIC NAME: 3-diazanyl-1H-quinoxalin-2-one
MOLECULAR FORMULA: C8H8N4O
MOLECULAR WEIGHT: 176.17532
SMILES: C1=CC=C2C(=C1)NC(=O)C(=N2)NN
Structure:

CAS RN: 35504-85-9
CAS Name: (E)-4-(4-fluorophenyl)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-(4-fluorophenyl)-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-(4-fluorophenyl)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-(4-fluorophenyl)-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C10H7FO3
MOLECULAR WEIGHT: 194.159183
SMILES: C1=CC(=CC=C1C(=O)/C=C/C(=O)O)F
Structure:

CAS RN: 299441-96-6
CAS Name: 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde
OPENEYE Name: 4-[(4-chlorophenyl)methoxy]-3-ethoxy-benzaldehyde
IUPAC Name: 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde
SYSTEMATIC NAME: 4-[(4-chlorophenyl)methoxy]-3-ethoxy-benzaldehyde
MOLECULAR FORMULA: C16H15ClO3
MOLECULAR WEIGHT: 290.7415
SMILES: CCOC1=C(C=CC(=C1)C=O)OCC2=CC=C(C=C2)Cl
Structure:

CAS RN: 325856-53-9
CAS Name: 4-[(2-chlorophenyl)methoxy]-3-ethoxybenzaldehyde
OPENEYE Name: 4-[(2-chlorophenyl)methoxy]-3-ethoxy-benzaldehyde
IUPAC Name: 4-[(2-chlorophenyl)methoxy]-3-ethoxybenzaldehyde
SYSTEMATIC NAME: 4-[(2-chlorophenyl)methoxy]-3-ethoxy-benzaldehyde
MOLECULAR FORMULA: C16H15ClO3
MOLECULAR WEIGHT: 290.7415
SMILES: CCOC1=C(C=CC(=C1)C=O)OCC2=CC=CC=C2Cl
Structure:

CAS RN: 84249-14-9
CAS Name: 4-bromo-2-pyridinamine
OPENEYE Name: 4-bromopyridin-2-amine
IUPAC Name: 4-bromopyridin-2-amine
SYSTEMATIC NAME: 4-bromanylpyridin-2-amine
MOLECULAR FORMULA: C5H5BrN2
MOLECULAR WEIGHT: 173.0106
SMILES: C1=CN=C(C=C1Br)N
Structure:

CAS RN: 39620-04-7
CAS Name: 3-chloro-2-pyridinamine
OPENEYE Name: 3-chloropyridin-2-amine
IUPAC Name: 3-chloropyridin-2-amine
SYSTEMATIC NAME: 3-chloranylpyridin-2-amine
MOLECULAR FORMULA: C5H5ClN2
MOLECULAR WEIGHT: 128.5596
SMILES: C1=CC(=C(N=C1)N)Cl
Structure:

CAS RN: 30464-17-6
CAS Name: 2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile
OPENEYE Name: 2-amino-4-(2-chlorophenyl)-6-ethoxy-pyridine-3,5-dicarbonitrile
IUPAC Name: 2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(2-chlorophenyl)-6-ethoxy-pyridine-3,5-dicarbonitrile
MOLECULAR FORMULA: C15H11ClN4O
MOLECULAR WEIGHT: 298.72704
SMILES: CCOC1=C(C(=C(C(=N1)N)C#N)C2=CC=CC=C2Cl)C#N
Structure:

CAS RN: 81282-82-8
CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid
OPENEYE Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid
IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid
SYSTEMATIC NAME: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: CC1=CC(=NN1C2=CC=C(C=C2)C(=O)O)C
Structure:

CAS RN: 14476-67-6
CAS Name: 5-amino-4-cyano-2-methyl-3-furancarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-amino-4-cyano-2-methyl-furan-3-carboxylate
IUPAC Name: ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate
SYSTEMATIC NAME: ethyl 5-azanyl-4-cyano-2-methyl-furan-3-carboxylate
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: CCOC(=O)C1=C(OC(=C1C#N)N)C
Structure:

CAS RN: 70373-49-8
CAS Name: 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide
OPENEYE Name: 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide
IUPAC Name: 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SYSTEMATIC NAME: 2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide
MOLECULAR FORMULA: C14H14N4O2
MOLECULAR WEIGHT: 270.28656
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC#N
Structure:

CAS RN: 90158-62-6
CAS Name: 2-cyano-N-(2-thiazolyl)acetamide
OPENEYE Name: 2-cyano-N-thiazol-2-yl-acetamide
IUPAC Name: 2-cyano-N-(1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-cyano-N-(1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C6H5N3OS
MOLECULAR WEIGHT: 167.1884
SMILES: C1=CSC(=N1)NC(=O)CC#N
Structure:

CAS RN: 77228-67-2
CAS Name: 2-(4-bromo-2-chlorophenoxy)acetic acid
OPENEYE Name: 2-(4-bromo-2-chloro-phenoxy)acetic acid
IUPAC Name: 2-(4-bromo-2-chlorophenoxy)acetic acid
SYSTEMATIC NAME: 2-(4-bromanyl-2-chloranyl-phenoxy)ethanoic acid
MOLECULAR FORMULA: C8H6BrClO3
MOLECULAR WEIGHT: 265.48844
SMILES: C1=CC(=C(C=C1Br)Cl)OCC(=O)O
Structure:

CAS RN: 6876-54-6
CAS Name: 2-cyano-N-(4-methylphenyl)acetamide
OPENEYE Name: 2-cyano-N-(p-tolyl)acetamide
IUPAC Name: 2-cyano-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-cyano-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C10H10N2O
MOLECULAR WEIGHT: 174.1992
SMILES: CC1=CC=C(C=C1)NC(=O)CC#N
Structure:

CAS RN: 54153-19-4
CAS Name: 2-cyano-N-(3-methylphenyl)acetamide
OPENEYE Name: 2-cyano-N-(m-tolyl)acetamide
IUPAC Name: 2-cyano-N-(3-methylphenyl)acetamide
SYSTEMATIC NAME: 2-cyano-N-(3-methylphenyl)ethanamide
MOLECULAR FORMULA: C10H10N2O
MOLECULAR WEIGHT: 174.1992
SMILES: CC1=CC(=CC=C1)NC(=O)CC#N
Structure:

CAS RN: 1735-88-2
CAS Name: 2-cyano-N-(4-fluorophenyl)acetamide
OPENEYE Name: 2-cyano-N-(4-fluorophenyl)acetamide
IUPAC Name: 2-cyano-N-(4-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-cyano-N-(4-fluorophenyl)ethanamide
MOLECULAR FORMULA: C9H7FN2O
MOLECULAR WEIGHT: 178.163083
SMILES: C1=CC(=CC=C1NC(=O)CC#N)F
Structure:

CAS RN: 436099-68-2
CAS Name: [2-[(cyclohexylamino)methyl]phenyl]methanol
OPENEYE Name: [2-[(cyclohexylamino)methyl]phenyl]methanol
IUPAC Name: [2-[(cyclohexylamino)methyl]phenyl]methanol
SYSTEMATIC NAME: [2-[(cyclohexylamino)methyl]phenyl]methanol
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: C1CCC(CC1)NCC2=CC=CC=C2CO
Structure:

CAS RN: 92-17-1
CAS Name: [2-(4-morpholinylmethyl)phenyl]methanol
OPENEYE Name: [2-(morpholinomethyl)phenyl]methanol
IUPAC Name: [2-(morpholin-4-ylmethyl)phenyl]methanol
SYSTEMATIC NAME: [2-(morpholin-4-ylmethyl)phenyl]methanol
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: C1COCCN1CC2=CC=CC=C2CO
Structure:

CAS RN: 459-05-2
CAS Name: (4-fluorophenyl)thiourea
OPENEYE Name: (4-fluorophenyl)thiourea
IUPAC Name: (4-fluorophenyl)thiourea
SYSTEMATIC NAME: 1-(4-fluorophenyl)thiourea
MOLECULAR FORMULA: C7H7FN2S
MOLECULAR WEIGHT: 170.207283
SMILES: C1=CC(=CC=C1NC(=S)N)F
Structure:

CAS RN: 50982-66-6
CAS Name: N-(2-chlorophenyl)-2-cyanoacetamide
OPENEYE Name: N-(2-chlorophenyl)-2-cyano-acetamide
IUPAC Name: N-(2-chlorophenyl)-2-cyanoacetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-cyano-ethanamide
MOLECULAR FORMULA: C9H7ClN2O
MOLECULAR WEIGHT: 194.61768
SMILES: C1=CC=C(C(=C1)NC(=O)CC#N)Cl
Structure:

CAS RN: 6585-83-7
CAS Name: 1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone
OPENEYE Name: 1-(1H-indol-3-yl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
IUPAC Name: 1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SYSTEMATIC NAME: 1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
MOLECULAR FORMULA: C17H13N5OS
MOLECULAR WEIGHT: 335.38302
SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4
Structure:

CAS RN: 6590-61-0
CAS Name: 1-(1H-indol-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone
OPENEYE Name: 1-(1H-indol-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
IUPAC Name: 1-(1H-indol-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SYSTEMATIC NAME: 1-(1H-indol-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
MOLECULAR FORMULA: C13H12N4OS
MOLECULAR WEIGHT: 272.32558
SMILES: CC1=NC(=NN1)SCC(=O)C2=CNC3=CC=CC=C32
Structure:

CAS RN: 5570-17-2
CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid methyl ester
OPENEYE Name: methyl 3,6-dichlorobenzothiophene-2-carboxylate
IUPAC Name: methyl 3,6-dichloro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C10H6Cl2O2S
MOLECULAR WEIGHT: 261.12444
SMILES: COC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl
Structure:

CAS RN: 329219-49-0
CAS Name: 3,6-dichloro-1-benzothiophene-2-carbohydrazide
OPENEYE Name: 3,6-dichlorobenzothiophene-2-carbohydrazide
IUPAC Name: 3,6-dichloro-1-benzothiophene-2-carbohydrazide
SYSTEMATIC NAME: 3,6-bis(chloranyl)-1-benzothiophene-2-carbohydrazide
MOLECULAR FORMULA: C9H6Cl2N2OS
MOLECULAR WEIGHT: 261.12774
SMILES: C1=CC2=C(C=C1Cl)SC(=C2Cl)C(=O)NN
Structure:

CAS RN: 5588-05-6
CAS Name: 2-[[oxo(pyridin-4-yl)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(pyridine-4-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
IUPAC Name: ethyl 2-(pyridine-4-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(pyridin-4-ylcarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C16H16N2O3S
MOLECULAR WEIGHT: 316.37484
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=NC=C3
Structure:

CAS RN: 115445-72-2
CAS Name: 1,6-diphenyl-4-pyrazolo[3,4-d][1,3]oxazinone
OPENEYE Name: 1,6-diphenylpyrazolo[3,4-d][1,3]oxazin-4-one
IUPAC Name: 1,6-diphenylpyrazolo[3,4-d][1,3]oxazin-4-one
SYSTEMATIC NAME: 1,6-diphenylpyrazolo[3,4-d][1,3]oxazin-4-one
MOLECULAR FORMULA: C17H11N3O2
MOLECULAR WEIGHT: 289.28814
SMILES: C1=CC=C(C=C1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)O2
Structure:

CAS RN: 5538-09-0
CAS Name: 1,6-diphenyl-4-pyrazolo[3,4-d][1,3]oxazinone
OPENEYE Name: 1,6-diphenylpyrazolo[3,4-d][1,3]oxazin-4-one
IUPAC Name: 1,6-diphenylpyrazolo[3,4-d][1,3]oxazin-4-one
SYSTEMATIC NAME: 1,6-diphenylpyrazolo[3,4-d][1,3]oxazin-4-one
MOLECULAR FORMULA: C17H11N3O2
MOLECULAR WEIGHT: 289.28814
SMILES: C1=CC=C(C=C1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)O2
Structure:

CAS RN: 5273-47-2
CAS Name: 1-[2-(1-piperidinyl)ethyl]-4-[1]benzopyrano[3,4-d]triazolone
OPENEYE Name: 1-[2-(1-piperidyl)ethyl]chromeno[3,4-d]triazol-4-one
IUPAC Name: 1-(2-piperidin-1-ylethyl)chromeno[3,4-d]triazol-4-one
SYSTEMATIC NAME: 1-(2-piperidin-1-ylethyl)chromeno[3,4-d][1,2,3]triazol-4-one
MOLECULAR FORMULA: C16H18N4O2
MOLECULAR WEIGHT: 298.33972
SMILES: C1CCN(CC1)CCN2C3=C(C(=O)OC4=CC=CC=C43)N=N2
Structure:

CAS RN: 5351-91-7
CAS Name: (thiophen-2-ylmethylideneamino)thiourea
OPENEYE Name: (2-thienylmethyleneamino)thiourea
IUPAC Name: (thiophen-2-ylmethylideneamino)thiourea
SYSTEMATIC NAME: 1-(thiophen-2-ylmethylideneamino)thiourea
MOLECULAR FORMULA: C6H7N3S2
MOLECULAR WEIGHT: 185.26988
SMILES: C1=CSC(=C1)C=NNC(=S)N
Structure:

CAS RN: 5393-61-3
CAS Name: (E)-N-(4-acetylphenyl)-3-(1,3-benzodioxol-5-yl)-2-propenamide
OPENEYE Name: (E)-N-(4-acetylphenyl)-3-(1,3-benzodioxol-5-yl)prop-2-enamide
IUPAC Name: (E)-N-(4-acetylphenyl)-3-(1,3-benzodioxol-5-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-ethanoylphenyl)prop-2-enamide
MOLECULAR FORMULA: C18H15NO4
MOLECULAR WEIGHT: 309.316
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3
Structure: