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

Systemtic Name: 3-[4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butyl]-8-methyl-quinazolin-4-one Openeye Name: 3-[4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-oxo-butyl]-8-methyl-quinazolin-4-one CAS Name: 3-[4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]-8-methyl-4-quinazolinone IUPAC Name: 3-[4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]-8-methylquinazolin-4-one Traditional Name: 3-[4-[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-4-keto-butyl]-8-methyl-quinazolin-4-one Formula: C25H29FN4O2 MolecularWeight: 436.521763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H29FN4O2/c1-19-5-2-6-22-24(19)27-18-30(25(22)32)13-3-7-23(31)29-14-4-12-28(15-16-29)17-20-8-10-21(26)11-9-20/h2,5-6,8-11,18H,3-4,7,12-17H2,1H3