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

Systemtic Name: 2-[[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[3-(4-ethylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)CC(CC3=O)(C)C)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)CC(CC3=O)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O2/c1-4-18-10-12-19(13-11-18)25-20(17-28(27-25)21-8-6-5-7-9-21)14-22-23(29)15-26(2,3)16-24(22)30/h5-14,17H,4,15-16H2,1-3H3