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

Systemtic Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O3/c1-25(2)14-22(28)21(23(29)15-25)13-18-16-27(19-7-5-4-6-8-19)26-24(18)17-9-11-20(30-3)12-10-17/h4-13,16H,14-15H2,1-3H3