3-(4-bromophenyl)-2-[3-(4-methylphenyl)-5-oxidanylidene-cyclohex-3-en-1-yl]quinazolin-4-one

Systemtic Name: 3-(4-bromophenyl)-2-[3-(4-methylphenyl)-5-oxidanylidene-cyclohex-3-en-1-yl]quinazolin-4-one Openeye Name: 3-(4-bromophenyl)-2-[5-oxo-3-(p-tolyl)cyclohex-3-en-1-yl]quinazolin-4-one CAS Name: 3-(4-bromophenyl)-2-[3-(4-methylphenyl)-5-oxo-1-cyclohex-3-enyl]-4-quinazolinone IUPAC Name: 3-(4-bromophenyl)-2-[3-(4-methylphenyl)-5-oxocyclohex-3-en-1-yl]quinazolin-4-one Traditional Name: 3-(4-bromophenyl)-2-[5-keto-3-(p-tolyl)cyclohex-3-en-1-yl]quinazolin-4-one Formula: C27H21BrN2O2 MolecularWeight: 485.37184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)CC(C2)C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)CC(C2)C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H21BrN2O2/c1-17-6-8-18(9-7-17)19-14-20(16-23(31)15-19)26-29-25-5-3-2-4-24(25)27(32)30(26)22-12-10-21(28)11-13-22/h2-13,15,20H,14,16H2,1H3