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

Systemtic Name: 2-methyl-3-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 2-methyl-3-[3-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]-3-oxo-propyl]quinazolin-4-one CAS Name: 2-methyl-3-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 2-methyl-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]-2-methyl-quinazolin-4-one Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2/c1-19-8-3-4-9-21(19)18-27-13-7-14-28(17-16-27)24(30)12-15-29-20(2)26-23-11-6-5-10-22(23)25(29)31/h3-6,8-11H,7,12-18H2,1-2H3