3-(4-methylphenyl)-2-[1-[4-(2-phenoxyethanoyl)piperazin-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-[1-[4-(2-phenoxyethanoyl)piperazin-1-yl]ethyl]quinazolin-4-one Openeye Name: 2-[1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]-3-(p-tolyl)quinazolin-4-one CAS Name: 3-(4-methylphenyl)-2-[1-[4-(1-oxo-2-phenoxyethyl)-1-piperazinyl]ethyl]-4-quinazolinone IUPAC Name: 3-(4-methylphenyl)-2-[1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinazolin-4-one Traditional Name: 2-[1-[4-(2-phenoxyacetyl)piperazino]ethyl]-3-(p-tolyl)quinazolin-4-one Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3/c1-21-12-14-23(15-13-21)33-28(30-26-11-7-6-10-25(26)29(33)35)22(2)31-16-18-32(19-17-31)27(34)20-36-24-8-4-3-5-9-24/h3-15,22H,16-20H2,1-2H3