3-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one

Systemtic Name: 3-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one Openeye Name: 3-[4-[4-(m-tolylmethyl)piperazin-1-yl]-4-oxo-butyl]quinazolin-4-one CAS Name: 3-[4-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-4-oxobutyl]-4-quinazolinone IUPAC Name: 3-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]quinazolin-4-one Traditional Name: 3-[4-keto-4-[4-(3-methylbenzyl)piperazino]butyl]quinazolin-4-one Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H28N4O2/c1-19-6-4-7-20(16-19)17-26-12-14-27(15-13-26)23(29)10-5-11-28-18-25-22-9-3-2-8-21(22)24(28)30/h2-4,6-9,16,18H,5,10-15,17H2,1H3