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

Systemtic Name: (6E)-6-[4-(4-tert-butylphenyl)carbonyl-1,2-dihydropyrazol-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-(4-tert-butylbenzoyl)-1,2-dihydropyrazol-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-[(4-tert-butylphenyl)-oxomethyl]-1,2-dihydropyrazol-3-ylidene]-3-methyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-(4-tert-butylbenzoyl)-1,2-dihydropyrazol-3-ylidene]-3-methylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-(4-tert-butylbenzoyl)-3-pyrazolin-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2C(=CNN2)C(=O)C3=CC=C(C=C3)C(C)(C)C)C=C1

Isomeric SMILES

CC1=CC(=O)/C(=C/2\C(=CNN2)C(=O)C3=CC=C(C=C3)C(C)(C)C)/C=C1

InChI

InChI=1S/C21H22N2O2/c1-13-5-10-16(18(24)11-13)19-17(12-22-23-19)20(25)14-6-8-15(9-7-14)21(2,3)4/h5-12,22-23H,1-4H3/b19-16+