3-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 3-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 3-[3-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]-3-oxo-propyl]quinazolin-4-one CAS Name: 3-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 3-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]propyl]quinazolin-4-one Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

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