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

Systemtic Name: 8-methyl-3-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 8-methyl-3-[3-oxo-3-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]propyl]quinazolin-4-one CAS Name: 8-methyl-3-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 8-methyl-3-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]propyl]-8-methyl-quinazolin-4-one Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=CC=C4C

InChI

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