4-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-[3-(2-methylphenyl)propyl]pyrazol-3-one

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-[3-(2-methylphenyl)propyl]pyrazol-3-one Openeye Name: 4-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-[3-(o-tolyl)propyl]pyrazol-3-one CAS Name: 4-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-[3-(2-methylphenyl)propyl]-3-pyrazolone IUPAC Name: 4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-[3-(2-methylphenyl)propyl]pyrazol-3-one Traditional Name: 4-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-2-[3-(o-tolyl)propyl]-2-pyrazolin-3-one Formula: C27H34N2O2 MolecularWeight: 418.57106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCCN2C(=O)C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C=N2

Isomeric SMILES

CC1=CC=CC=C1CCCN2C(=O)C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C=N2

InChI

InChI=1S/C27H34N2O2/c1-18-11-8-9-12-19(18)13-10-14-29-25(31)21(17-28-29)20-15-22(26(2,3)4)24(30)23(16-20)27(5,6)7/h8-9,11-12,15-17H,10,13-14H2,1-7H3