6-[5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one CAS Name: 6-[5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-ylidene]-4-methyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-ylidene]-4-methylcyclohexa-2,4-dien-1-one Traditional Name: 6-[5-(4-tert-butylphenyl)-3-pyrazolin-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one Formula: C20H22N2O MolecularWeight: 306.40148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NN2)C3=CC=C(C=C3)C(C)(C)C)C(=O)C=C1

Isomeric SMILES

CC1=CC(=C2C=C(NN2)C3=CC=C(C=C3)C(C)(C)C)C(=O)C=C1

InChI

InChI=1S/C20H22N2O/c1-13-5-10-19(23)16(11-13)18-12-17(21-22-18)14-6-8-15(9-7-14)20(2,3)4/h5-12,21-22H,1-4H3