2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[2-(1-adamantyl)-2-oxoethyl]-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[2-(1-adamantyl)-2-keto-ethyl]-3-(o-tolyl)quinazolin-4-one Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H28N2O2/c1-17-6-2-5-9-23(17)29-25(28-22-8-4-3-7-21(22)26(29)31)13-24(30)27-14-18-10-19(15-27)12-20(11-18)16-27/h2-9,18-20H,10-16H2,1H3