2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C24H21ClN2O2 MolecularWeight: 404.88874

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)C1)C

InChI

InChI=1S/C24H21ClN2O2/c1-24(2)13-21(28)20(22(29)14-24)12-17-15-27(19-6-4-3-5-7-19)26-23(17)16-8-10-18(25)11-9-16/h3-12,15H,13-14H2,1-2H3