3-[4-(azepan-1-ylcarbonyl)phenyl]quinazolin-4-one

Systemtic Name: 3-[4-(azepan-1-ylcarbonyl)phenyl]quinazolin-4-one Openeye Name: 3-[4-(azepane-1-carbonyl)phenyl]quinazolin-4-one CAS Name: 3-[4-[1-azepanyl(oxo)methyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-(azepane-1-carbonyl)phenyl]quinazolin-4-one Traditional Name: 3-[4-(azepane-1-carbonyl)phenyl]quinazolin-4-one Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O2/c25-20(23-13-5-1-2-6-14-23)16-9-11-17(12-10-16)24-15-22-19-8-4-3-7-18(19)21(24)26/h3-4,7-12,15H,1-2,5-6,13-14H2