CAS RN: 67822-74-6
CAS Name: 2-cyclohexyl-1,3-dioxo-5-isoindolecarboxylic acid
OPENEYE Name: 2-cyclohexyl-1,3-dioxo-isoindoline-5-carboxylic acid
IUPAC Name: 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylic acid
SYSTEMATIC NAME: 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid
MOLECULAR FORMULA: C15H15NO4
MOLECULAR WEIGHT: 273.2839
SMILES: C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
Structure:
CAS RN: 5935-48-8
CAS Name: 2-chloro-5-(2-methyl-5-phenyl-1-pyrrolyl)benzoic acid
OPENEYE Name: 2-chloro-5-(2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid
IUPAC Name: 2-chloro-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
SYSTEMATIC NAME: 2-chloranyl-5-(2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid
MOLECULAR FORMULA: C18H14ClNO2
MOLECULAR WEIGHT: 311.76226
SMILES: CC1=CC=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C3=CC=CC=C3
Structure:
CAS RN: 63034-97-9
CAS Name: N-(5-chloro-2-methylphenyl)-2-cyanoacetamide
OPENEYE Name: N-(5-chloro-2-methyl-phenyl)-2-cyano-acetamide
IUPAC Name: N-(5-chloro-2-methylphenyl)-2-cyanoacetamide
SYSTEMATIC NAME: N-(5-chloranyl-2-methyl-phenyl)-2-cyano-ethanamide
MOLECULAR FORMULA: C10H9ClN2O
MOLECULAR WEIGHT: 208.64426
SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)CC#N
Structure:
CAS RN: 91818-29-0
CAS Name: 2-cyano-N-(3-methoxyphenyl)acetamide
OPENEYE Name: 2-cyano-N-(3-methoxyphenyl)acetamide
IUPAC Name: 2-cyano-N-(3-methoxyphenyl)acetamide
SYSTEMATIC NAME: 2-cyano-N-(3-methoxyphenyl)ethanamide
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: COC1=CC=CC(=C1)NC(=O)CC#N
Structure:
CAS RN: 5749-83-7
CAS Name: (5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: (5Z)-5-[(3-bromo-4-fluoro-phenyl)methylene]-2-thioxo-imidazolidin-4-one
IUPAC Name: (5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-[(3-bromanyl-4-fluoranyl-phenyl)methylidene]-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C10H6BrFN2OS
MOLECULAR WEIGHT: 301.134843
SMILES: C1=CC(=C(C=C1/C=C\2/C(=O)NC(=S)N2)Br)F
Structure:
CAS RN: 5663-81-0
CAS Name: N-(4-methoxyphenyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
OPENEYE Name: N-(4-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC Name: N-(4-methoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-(4-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine
MOLECULAR FORMULA: C18H15N5O
MOLECULAR WEIGHT: 317.3446
SMILES: COC1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=CC=C4
Structure:
CAS RN: 6161-56-4
CAS Name: 3-methyl-2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
OPENEYE Name: 3-methyl-5-propyl-2-(p-tolyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
IUPAC Name: 3-methyl-2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SYSTEMATIC NAME: 3-methyl-2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
MOLECULAR FORMULA: C17H19N3O
MOLECULAR WEIGHT: 281.35226
SMILES: CCCC1=CC(=O)N2C(=N1)C(=C(N2)C3=CC=C(C=C3)C)C
Structure:
CAS RN: 6137-42-4
CAS Name: 2-(3-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
OPENEYE Name: 2-(m-tolyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
IUPAC Name: 2-(3-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SYSTEMATIC NAME: 2-(3-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
MOLECULAR FORMULA: C16H17N3O
MOLECULAR WEIGHT: 267.32568
SMILES: CCCC1=CC(=O)N2C(=N1)C=C(N2)C3=CC(=CC=C3)C
Structure:
CAS RN: 41905-79-7
CAS Name: acetic acid [3-oxo-2-(2,4,6-trimethylphenyl)-1-indenyl] ester
OPENEYE Name: [3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] acetate
IUPAC Name: [3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] acetate
SYSTEMATIC NAME: [3-oxidanylidene-2-(2,4,6-trimethylphenyl)inden-1-yl] ethanoate
MOLECULAR FORMULA: C20H18O3
MOLECULAR WEIGHT: 306.35512
SMILES: CC1=CC(=C(C(=C1)C)C2=C(C3=CC=CC=C3C2=O)OC(=O)C)C
Structure:
CAS RN: 69574-11-4
CAS Name: (3E)-3-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]-1-isobenzofuranone
OPENEYE Name: (3E)-3-[(4-hydroxy-3,5-diisopropyl-phenyl)methylene]isobenzofuran-1-one
IUPAC Name: (3E)-3-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-benzofuran-1-one
SYSTEMATIC NAME: (3E)-3-[[4-oxidanyl-3,5-di(propan-2-yl)phenyl]methylidene]-2-benzofuran-1-one
MOLECULAR FORMULA: C21H22O3
MOLECULAR WEIGHT: 322.39758
SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)/C=C/2\C3=CC=CC=C3C(=O)O2
Structure:
CAS RN: 6224-71-1
CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-(3-methylphenyl)-4H-imidazol-5-one
OPENEYE Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(m-tolyl)-4H-imidazol-5-one
IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methylphenyl)-4H-imidazol-5-one
SYSTEMATIC NAME: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methylphenyl)-4H-imidazol-5-one
MOLECULAR FORMULA: C16H17N5O
MOLECULAR WEIGHT: 295.33908
SMILES: CC1=CC(=CC=C1)N2CC(=O)N=C2NC3=NC(=CC(=N3)C)C
Structure:
CAS RN: 6137-74-2
CAS Name: 2-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
OPENEYE Name: 2-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
IUPAC Name: 2-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SYSTEMATIC NAME: 2-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
MOLECULAR FORMULA: C16H14FN3O
MOLECULAR WEIGHT: 283.300263
SMILES: C1CCC2=C(C1)C(=O)N3C(=N2)C=C(N3)C4=CC(=CC=C4)F
Structure:
CAS RN: 135323-95-4
CAS Name: (2-chloro-4-quinolinyl)-(4-morpholinyl)methanone
OPENEYE Name: (2-chloro-4-quinolyl)-morpholino-methanone
IUPAC Name: (2-chloroquinolin-4-yl)-morpholin-4-ylmethanone
SYSTEMATIC NAME: (2-chloranylquinolin-4-yl)-morpholin-4-yl-methanone
MOLECULAR FORMULA: C14H13ClN2O2
MOLECULAR WEIGHT: 276.71822
SMILES: C1COCCN1C(=O)C2=CC(=NC3=CC=CC=C32)Cl
Structure:
CAS RN: 6198-89-6
CAS Name: 4-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[(4-methylpiperazine-1-carbothioyl)amino]benzoate
IUPAC Name: ethyl 4-[(4-methylpiperazine-1-carbothioyl)amino]benzoate
SYSTEMATIC NAME: ethyl 4-[(4-methylpiperazin-1-yl)carbothioylamino]benzoate
MOLECULAR FORMULA: C15H21N3O2S
MOLECULAR WEIGHT: 307.41114
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C
Structure:
CAS RN: 6458-62-4
CAS Name: 6-amino-5-cyano-3-ethyl-1'-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-cyclohexane]carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-amino-5-cyano-3-ethyl-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-cyclohexane]-1'-carboxylate
IUPAC Name: ethyl 6-amino-5-cyano-3-ethylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-cyclohexane]-1'-carboxylate
SYSTEMATIC NAME: ethyl 6-azanyl-5-cyano-3-ethyl-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-cyclohexane]-1'-carboxylate
MOLECULAR FORMULA: C17H22N4O3
MOLECULAR WEIGHT: 330.38158
SMILES: CCC1=C2C(=NN1)OC(=C(C23CCC(CC3)C(=O)OCC)C#N)N
Structure:
CAS RN: 75483-03-3
CAS Name: 4-acetyloxy-1-ethyl-2-oxo-3-quinolinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-acetoxy-1-ethyl-2-oxo-quinoline-3-carboxylate
IUPAC Name: ethyl 4-acetyloxy-1-ethyl-2-oxoquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-acetyloxy-1-ethyl-2-oxidanylidene-quinoline-3-carboxylate
MOLECULAR FORMULA: C16H17NO5
MOLECULAR WEIGHT: 303.30988
SMILES: CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)OCC)OC(=O)C
Structure:
CAS RN: 5789-38-8
CAS Name: 3,5-dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole
OPENEYE Name: 3,5-dimethyl-4-(3-nitrophenyl)-1-phenyl-pyrazole
IUPAC Name: 3,5-dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole
SYSTEMATIC NAME: 3,5-dimethyl-4-(3-nitrophenyl)-1-phenyl-pyrazole
MOLECULAR FORMULA: C17H15N3O2
MOLECULAR WEIGHT: 293.3199
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)C3=CC(=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 31642-90-7
CAS Name: 3-amino-4-(4-morpholinyl)benzamide
OPENEYE Name: 3-amino-4-morpholino-benzamide
IUPAC Name: 3-amino-4-morpholin-4-ylbenzamide
SYSTEMATIC NAME: 3-azanyl-4-morpholin-4-yl-benzamide
MOLECULAR FORMULA: C11H15N3O2
MOLECULAR WEIGHT: 221.2557
SMILES: C1COCCN1C2=C(C=C(C=C2)C(=O)N)N
Structure:
CAS RN: 50891-33-3
CAS Name: 5-amino-2-(1-piperidinyl)benzamide
OPENEYE Name: 5-amino-2-(1-piperidyl)benzamide
IUPAC Name: 5-amino-2-piperidin-1-ylbenzamide
SYSTEMATIC NAME: 5-azanyl-2-piperidin-1-yl-benzamide
MOLECULAR FORMULA: C12H17N3O
MOLECULAR WEIGHT: 219.28288
SMILES: C1CCN(CC1)C2=C(C=C(C=C2)N)C(=O)N
Structure:
CAS RN: 42258-90-2
CAS Name: (4R)-4-thiazolidinecarboxylic acid methyl ester
OPENEYE Name: methyl (4R)-thiazolidine-4-carboxylate
IUPAC Name: methyl (4R)-1,3-thiazolidine-4-carboxylate
SYSTEMATIC NAME: methyl (4R)-1,3-thiazolidine-4-carboxylate
MOLECULAR FORMULA: C5H9NO2S
MOLECULAR WEIGHT: 147.19546
SMILES: COC(=O)[C@@H]1CSCN1
Structure:
CAS RN: 462068-45-7
CAS Name: N-(4-aminophenyl)-3-(4-morpholinyl)propanamide
OPENEYE Name: N-(4-aminophenyl)-3-morpholino-propanamide
IUPAC Name: N-(4-aminophenyl)-3-morpholin-4-ylpropanamide
SYSTEMATIC NAME: N-(4-aminophenyl)-3-morpholin-4-yl-propanamide
MOLECULAR FORMULA: C13H19N3O2
MOLECULAR WEIGHT: 249.30886
SMILES: C1COCCN1CCC(=O)NC2=CC=C(C=C2)N
Structure:
CAS RN: 303151-23-7
CAS Name: 2-chloro-N-[2-(4-morpholinyl)phenyl]acetamide
OPENEYE Name: 2-chloro-N-(2-morpholinophenyl)acetamide
IUPAC Name: 2-chloro-N-(2-morpholin-4-ylphenyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(2-morpholin-4-ylphenyl)ethanamide
MOLECULAR FORMULA: C12H15ClN2O2
MOLECULAR WEIGHT: 254.7127
SMILES: C1COCCN1C2=CC=CC=C2NC(=O)CCl
Structure:
CAS RN: 4207-36-7
CAS Name: N-(3-pyridinylmethyl)-2-(2,4,6-trimethylphenoxy)acetamide
OPENEYE Name: N-(3-pyridylmethyl)-2-(2,4,6-trimethylphenoxy)acetamide
IUPAC Name: N-(pyridin-3-ylmethyl)-2-(2,4,6-trimethylphenoxy)acetamide
SYSTEMATIC NAME: N-(pyridin-3-ylmethyl)-2-(2,4,6-trimethylphenoxy)ethanamide
MOLECULAR FORMULA: C17H20N2O2
MOLECULAR WEIGHT: 284.3529
SMILES: CC1=CC(=C(C(=C1)C)OCC(=O)NCC2=CN=CC=C2)C
Structure:
CAS RN: 27328-34-3
CAS Name: 2-(2,2-dimethoxyethyl)isoindole-1,3-dione
OPENEYE Name: 2-(2,2-dimethoxyethyl)isoindoline-1,3-dione
IUPAC Name: 2-(2,2-dimethoxyethyl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(2,2-dimethoxyethyl)isoindole-1,3-dione
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: COC(CN1C(=O)C2=CC=CC=C2C1=O)OC
Structure:
CAS RN: 52773-23-6
CAS Name: 1-(1,3-dimethyl-4-pyrazolyl)ethanone
OPENEYE Name: 1-(1,3-dimethylpyrazol-4-yl)ethanone
IUPAC Name: 1-(1,3-dimethylpyrazol-4-yl)ethanone
SYSTEMATIC NAME: 1-(1,3-dimethylpyrazol-4-yl)ethanone
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: CC1=NN(C=C1C(=O)C)C
Structure:
CAS RN: 97713-62-7
CAS Name: 4-(3-chloro-4-methoxyphenyl)-2-thiazolamine
OPENEYE Name: 4-(3-chloro-4-methoxy-phenyl)thiazol-2-amine
IUPAC Name: 4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(3-chloranyl-4-methoxy-phenyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C10H9ClN2OS
MOLECULAR WEIGHT: 240.70926
SMILES: COC1=C(C=C(C=C1)C2=CSC(=N2)N)Cl
Structure:
CAS RN: 22927-78-2
CAS Name: (5S)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
OPENEYE Name: (5S)-5-(4-methoxyphenyl)-5-methyl-imidazolidine-2,4-dione
IUPAC Name: (5S)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SYSTEMATIC NAME: (5S)-5-(4-methoxyphenyl)-5-methyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: C[C@@]1(C(=O)NC(=O)N1)C2=CC=C(C=C2)OC
Structure:
CAS RN: 22927-78-2
CAS Name: (5R)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
OPENEYE Name: (5R)-5-(4-methoxyphenyl)-5-methyl-imidazolidine-2,4-dione
IUPAC Name: (5R)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SYSTEMATIC NAME: (5R)-5-(4-methoxyphenyl)-5-methyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: C[C@]1(C(=O)NC(=O)N1)C2=CC=C(C=C2)OC
Structure:
CAS RN: 1201-08-7
CAS Name: 8-bromo-2-methyl-1H-quinolin-4-one
OPENEYE Name: 8-bromo-2-methyl-1H-quinolin-4-one
IUPAC Name: 8-bromo-2-methyl-1H-quinolin-4-one
SYSTEMATIC NAME: 8-bromanyl-2-methyl-1H-quinolin-4-one
MOLECULAR FORMULA: C10H8BrNO
MOLECULAR WEIGHT: 238.08062
SMILES: CC1=CC(=O)C2=C(N1)C(=CC=C2)Br
Structure:
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