CAS RN: 24515-10-4
CAS Name: 4,4-dichloro-5-methyl-2-phenyl-3-pyrazolone
OPENEYE Name: 4,4-dichloro-5-methyl-2-phenyl-pyrazol-3-one
IUPAC Name: 4,4-dichloro-5-methyl-2-phenylpyrazol-3-one
SYSTEMATIC NAME: 4,4-bis(chloranyl)-5-methyl-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C10H8Cl2N2O
MOLECULAR WEIGHT: 243.08932
SMILES: CC1=NN(C(=O)C1(Cl)Cl)C2=CC=CC=C2
Structure:
CAS RN: 77169-12-1
CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid
OPENEYE Name: 1,3-diphenylpyrazole-4-carboxylic acid
IUPAC Name: 1,3-diphenylpyrazole-4-carboxylic acid
SYSTEMATIC NAME: 1,3-diphenylpyrazole-4-carboxylic acid
MOLECULAR FORMULA: C16H12N2O2
MOLECULAR WEIGHT: 264.27868
SMILES: C1=CC=C(C=C1)C2=NN(C=C2C(=O)O)C3=CC=CC=C3
Structure:
CAS RN: 6032-69-5
CAS Name: 3,5,5-trimethyl-2-(methylthio)-6H-benzo[h]quinazolin-4-one
OPENEYE Name: 3,5,5-trimethyl-2-methylsulfanyl-6H-benzo[h]quinazolin-4-one
IUPAC Name: 3,5,5-trimethyl-2-methylsulfanyl-6H-benzo[h]quinazolin-4-one
SYSTEMATIC NAME: 3,5,5-trimethyl-2-methylsulfanyl-6H-benzo[h]quinazolin-4-one
MOLECULAR FORMULA: C16H18N2OS
MOLECULAR WEIGHT: 286.39192
SMILES: CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SC)C)C
Structure:
CAS RN: 6030-64-4
CAS Name: 5-ethyl-6-methyl-2-[(4-methyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one
OPENEYE Name: 5-ethyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one
IUPAC Name: 5-ethyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-ethyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one
MOLECULAR FORMULA: C16H17N5O
MOLECULAR WEIGHT: 295.33908
SMILES: CCC1=C(NC(=NC1=O)NC2=NC3=CC=CC=C3C(=N2)C)C
Structure:
CAS RN: 6012-01-7
CAS Name: 2-[(6-ethoxy-4-methyl-2-quinazolinyl)amino]-4,5-dihydro-1H-pyrimidin-6-one
OPENEYE Name: 2-[(6-ethoxy-4-methyl-quinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-6-one
IUPAC Name: 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-[(6-ethoxy-4-methyl-quinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-6-one
MOLECULAR FORMULA: C15H17N5O2
MOLECULAR WEIGHT: 299.32778
SMILES: CCOC1=CC2=C(C=C1)N=C(N=C2C)NC3=NCCC(=O)N3
Structure:
CAS RN: 5728-05-2
CAS Name: 5-fluoro-1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpyrimidine-2,4-dione
OPENEYE Name: 5-fluoro-1-[(4-methoxy-3-nitro-phenyl)methyl]-3-methyl-pyrimidine-2,4-dione
IUPAC Name: 5-fluoro-1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[(4-methoxy-3-nitro-phenyl)methyl]-3-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H12FN3O5
MOLECULAR WEIGHT: 309.249883
SMILES: CN1C(=O)C(=CN(C1=O)CC2=CC(=C(C=C2)OC)[N+](=O)[O-])F
Structure:
CAS RN: 4819-54-9
CAS Name: (5-methoxy-1,2-dimethyl-3-indolyl)-(4-methyl-1-piperazinyl)methanone
OPENEYE Name: (5-methoxy-1,2-dimethyl-indol-3-yl)-(4-methylpiperazin-1-yl)methanone
IUPAC Name: (5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
SYSTEMATIC NAME: (5-methoxy-1,2-dimethyl-indol-3-yl)-(4-methylpiperazin-1-yl)methanone
MOLECULAR FORMULA: C17H23N3O2
MOLECULAR WEIGHT: 301.38342
SMILES: CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)N3CCN(CC3)C
Structure:
CAS RN: 73776-25-7
CAS Name: 2-chloro-3-quinolinecarboxylic acid
OPENEYE Name: 2-chloroquinoline-3-carboxylic acid
IUPAC Name: 2-chloroquinoline-3-carboxylic acid
SYSTEMATIC NAME: 2-chloranylquinoline-3-carboxylic acid
MOLECULAR FORMULA: C10H6ClNO2
MOLECULAR WEIGHT: 207.61314
SMILES: C1=CC=C2C(=C1)C=C(C(=N2)Cl)C(=O)O
Structure:
CAS RN: 5703-33-3
CAS Name: N-(4-acetylphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
OPENEYE Name: N-(4-acetylphenyl)-5-methyl-3-phenyl-isoxazole-4-carboxamide
IUPAC Name: N-(4-acetylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: N-(4-ethanoylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C19H16N2O3
MOLECULAR WEIGHT: 320.34194
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)C
Structure:
CAS RN: 6135-69-9
CAS Name: N-(3,4-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
OPENEYE Name: N-(3,4-dimethylphenyl)-2,5-dimethyl-benzenesulfonamide
IUPAC Name: N-(3,4-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-2,5-dimethyl-benzenesulfonamide
MOLECULAR FORMULA: C16H19NO2S
MOLECULAR WEIGHT: 289.39256
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=C(C=C2)C)C
Structure:
CAS RN: 6158-16-3
CAS Name: N-(4-chlorophenyl)-2,5-dimethylbenzenesulfonamide
OPENEYE Name: N-(4-chlorophenyl)-2,5-dimethyl-benzenesulfonamide
IUPAC Name: N-(4-chlorophenyl)-2,5-dimethylbenzenesulfonamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2,5-dimethyl-benzenesulfonamide
MOLECULAR FORMULA: C14H14ClNO2S
MOLECULAR WEIGHT: 295.78446
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 363162-67-8
CAS Name: 2-(2-fluoro-N-methylsulfonylanilino)acetic acid
OPENEYE Name: 2-(2-fluoro-N-methylsulfonyl-anilino)acetic acid
IUPAC Name: 2-(2-fluoro-N-methylsulfonylanilino)acetic acid
SYSTEMATIC NAME: 2-[(2-fluorophenyl)-methylsulfonyl-amino]ethanoic acid
MOLECULAR FORMULA: C9H10FNO4S
MOLECULAR WEIGHT: 247.243403
SMILES: CS(=O)(=O)N(CC(=O)O)C1=CC=CC=C1F
Structure:
CAS RN: 6198-78-3
CAS Name: 2-(4-methoxy-N-methylsulfonylanilino)acetic acid methyl ester
OPENEYE Name: methyl 2-(4-methoxy-N-methylsulfonyl-anilino)acetate
IUPAC Name: methyl 2-(4-methoxy-N-methylsulfonylanilino)acetate
SYSTEMATIC NAME: methyl 2-[(4-methoxyphenyl)-methylsulfonyl-amino]ethanoate
MOLECULAR FORMULA: C11H15NO5S
MOLECULAR WEIGHT: 273.3055
SMILES: COC1=CC=C(C=C1)N(CC(=O)OC)S(=O)(=O)C
Structure:
CAS RN: 6178-52-5
CAS Name: N-(3-chloro-4-methoxyphenyl)-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]methanesulfonamide
OPENEYE Name: N-(3-chloro-4-methoxy-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)methanesulfonamide
IUPAC Name: N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SYSTEMATIC NAME: N-(3-chloranyl-4-methoxy-phenyl)-N-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)methanesulfonamide
MOLECULAR FORMULA: C14H19ClN2O4S
MOLECULAR WEIGHT: 346.82966
SMILES: COC1=C(C=C(C=C1)N(CC(=O)N2CCCC2)S(=O)(=O)C)Cl
Structure:
CAS RN: 74957-49-6
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-propenamide
OPENEYE Name: (E)-3-(1,3-benzodioxol-5-yl)-N,N-dimethyl-prop-2-enamide
IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N,N-dimethylprop-2-enamide
SYSTEMATIC NAME: (E)-3-(1,3-benzodioxol-5-yl)-N,N-dimethyl-prop-2-enamide
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CN(C)C(=O)/C=C/C1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 6222-05-5
CAS Name: 5-[[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C16H14N4O2S
MOLECULAR WEIGHT: 326.37296
SMILES: CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)NC(=S)NC3=O
Structure:
CAS RN: 6104-83-2
CAS Name: 4-oxo-4-[(4-phenyl-4-oxanyl)methylamino]butanoic acid
OPENEYE Name: 4-oxo-4-[(4-phenyltetrahydropyran-4-yl)methylamino]butanoic acid
IUPAC Name: 4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butanoic acid
SYSTEMATIC NAME: 4-oxidanylidene-4-[(4-phenyloxan-4-yl)methylamino]butanoic acid
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: C1COCCC1(CNC(=O)CCC(=O)O)C2=CC=CC=C2
Structure:
CAS RN: 66147-19-1
CAS Name: 5-(3-methylphenyl)-3H-1,3,4-oxadiazole-2-thione
OPENEYE Name: 5-(m-tolyl)-3H-1,3,4-oxadiazole-2-thione
IUPAC Name: 5-(3-methylphenyl)-3H-1,3,4-oxadiazole-2-thione
SYSTEMATIC NAME: 5-(3-methylphenyl)-3H-1,3,4-oxadiazole-2-thione
MOLECULAR FORMULA: C9H8N2OS
MOLECULAR WEIGHT: 192.23762
SMILES: CC1=CC=CC(=C1)C2=NNC(=S)O2
Structure:
CAS RN: 333313-78-3
CAS Name: 4-methyl-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-methyl-3-(m-tolyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-methyl-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-methyl-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C10H11N3S
MOLECULAR WEIGHT: 205.27944
SMILES: CC1=CC=CC(=C1)C2=NNC(=S)N2C
Structure:
CAS RN: 6227-74-3
CAS Name: N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)thio]acetamide
OPENEYE Name: N-(2,5-dimethylphenyl)-2-(p-tolylsulfanyl)acetamide
IUPAC Name: N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SYSTEMATIC NAME: N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfanyl-ethanamide
MOLECULAR FORMULA: C17H19NOS
MOLECULAR WEIGHT: 285.40386
SMILES: CC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C)C
Structure:
CAS RN: 6195-94-4
CAS Name: 2-[(4-chlorophenyl)thio]-N-(2,6-dimethylphenyl)acetamide
OPENEYE Name: 2-(4-chlorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-(4-chlorophenyl)sulfanyl-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C16H16ClNOS
MOLECULAR WEIGHT: 305.82234
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CSC2=CC=C(C=C2)Cl
Structure:
CAS RN: 6202-35-3
CAS Name: N-(2-ethylphenyl)-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]methanesulfonamide
OPENEYE Name: N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)methanesulfonamide
IUPAC Name: N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SYSTEMATIC NAME: N-(2-ethylphenyl)-N-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)methanesulfonamide
MOLECULAR FORMULA: C15H22N2O3S
MOLECULAR WEIGHT: 310.41178
SMILES: CCC1=CC=CC=C1N(CC(=O)N2CCCC2)S(=O)(=O)C
Structure:
CAS RN: 170655-46-6
CAS Name: 2-chloro-N-[4-(4-morpholinyl)phenyl]acetamide
OPENEYE Name: 2-chloro-N-(4-morpholinophenyl)acetamide
IUPAC Name: 2-chloro-N-(4-morpholin-4-ylphenyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(4-morpholin-4-ylphenyl)ethanamide
MOLECULAR FORMULA: C12H15ClN2O2
MOLECULAR WEIGHT: 254.7127
SMILES: C1COCCN1C2=CC=C(C=C2)NC(=O)CCl
Structure:
CAS RN: 5133-80-2
CAS Name: 1-(4-methoxyphenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)ethanone
OPENEYE Name: 1-(4-methoxyphenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)ethanone
IUPAC Name: 1-(4-methoxyphenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)ethanone
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)ethanone
MOLECULAR FORMULA: C21H23NO2
MOLECULAR WEIGHT: 321.41282
SMILES: CC1(CC2=CC=CC=C2C(=CC(=O)C3=CC=C(C=C3)OC)N1C)C
Structure:
CAS RN: 6293-06-7
CAS Name: N-[(2,4-dichlorophenyl)methyl]-2-thiophenesulfonamide
OPENEYE Name: N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide
IUPAC Name: N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide
SYSTEMATIC NAME: N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide
MOLECULAR FORMULA: C11H9Cl2NO2S2
MOLECULAR WEIGHT: 322.23066
SMILES: C1=CSC(=C1)S(=O)(=O)NCC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 6134-46-9
CAS Name: 4-[2-(2-naphthalenyloxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-[2-(2-naphthyloxy)acetyl]piperazine-1-carboxylate
IUPAC Name: ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-(2-naphthalen-2-yloxyethanoyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C19H22N2O4
MOLECULAR WEIGHT: 342.38898
SMILES: CCOC(=O)N1CCN(CC1)C(=O)COC2=CC3=CC=CC=C3C=C2
Structure:
CAS RN: 90875-44-8
CAS Name: 5-chloro-2-(4-morpholinyl)aniline
OPENEYE Name: 5-chloro-2-morpholino-aniline
IUPAC Name: 5-chloro-2-morpholin-4-ylaniline
SYSTEMATIC NAME: 5-chloranyl-2-morpholin-4-yl-aniline
MOLECULAR FORMULA: C10H13ClN2O
MOLECULAR WEIGHT: 212.67602
SMILES: C1COCCN1C2=C(C=C(C=C2)Cl)N
Structure:
CAS RN: 1571-99-9
CAS Name: 2-(3-pyridinyl)-3H-benzimidazol-5-amine
OPENEYE Name: 2-(3-pyridyl)-3H-benzimidazol-5-amine
IUPAC Name: 2-pyridin-3-yl-3H-benzimidazol-5-amine
SYSTEMATIC NAME: 2-pyridin-3-yl-3H-benzimidazol-5-amine
MOLECULAR FORMULA: C12H10N4
MOLECULAR WEIGHT: 210.2346
SMILES: C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)N
Structure:
CAS RN: 29608-05-7
CAS Name: 4-(1-piperidinylmethyl)aniline
OPENEYE Name: 4-(1-piperidylmethyl)aniline
IUPAC Name: 4-(piperidin-1-ylmethyl)aniline
SYSTEMATIC NAME: 4-(piperidin-1-ylmethyl)aniline
MOLECULAR FORMULA: C12H18N2
MOLECULAR WEIGHT: 190.28472
SMILES: C1CCN(CC1)CC2=CC=C(C=C2)N
Structure:
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