3-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-8-methyl-quinazolin-4-one

Systemtic Name: 3-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-8-methyl-quinazolin-4-one Openeye Name: 3-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-propyl]-8-methyl-quinazolin-4-one CAS Name: 3-[3-[2-(4-methoxyphenyl)-1-azepanyl]-3-oxopropyl]-8-methyl-4-quinazolinone IUPAC Name: 3-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-8-methylquinazolin-4-one Traditional Name: 3-[3-keto-3-[2-(4-methoxyphenyl)azepan-1-yl]propyl]-8-methyl-quinazolin-4-one Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)N3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)N3CCCCCC3C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29N3O3/c1-18-7-6-8-21-24(18)26-17-27(25(21)30)16-14-23(29)28-15-5-3-4-9-22(28)19-10-12-20(31-2)13-11-19/h6-8,10-13,17,22H,3-5,9,14-16H2,1-2H3