2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-4-[4-(2-methylpropyl)phenyl]phthalazin-1-one

Systemtic Name: 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-4-[4-(2-methylpropyl)phenyl]phthalazin-1-one Openeye Name: 4-(4-isobutylphenyl)-2-[2-oxo-2-(p-tolyl)ethyl]phthalazin-1-one CAS Name: 2-[2-(4-methylphenyl)-2-oxoethyl]-4-[4-(2-methylpropyl)phenyl]-1-phthalazinone IUPAC Name: 2-[2-(4-methylphenyl)-2-oxoethyl]-4-[4-(2-methylpropyl)phenyl]phthalazin-1-one Traditional Name: 4-(4-isobutylphenyl)-2-[2-keto-2-(p-tolyl)ethyl]phthalazin-1-one Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)CC(C)C

InChI

InChI=1S/C27H26N2O2/c1-18(2)16-20-10-14-22(15-11-20)26-23-6-4-5-7-24(23)27(31)29(28-26)17-25(30)21-12-8-19(3)9-13-21/h4-15,18H,16-17H2,1-3H3