2-[4-(azepan-1-yl)phenyl]-1-methyl-2,3-dihydroquinazolin-4-one

Systemtic Name: 2-[4-(azepan-1-yl)phenyl]-1-methyl-2,3-dihydroquinazolin-4-one Openeye Name: 2-[4-(azepan-1-yl)phenyl]-1-methyl-2,3-dihydroquinazolin-4-one CAS Name: 2-[4-(1-azepanyl)phenyl]-1-methyl-2,3-dihydroquinazolin-4-one IUPAC Name: 2-[4-(azepan-1-yl)phenyl]-1-methyl-2,3-dihydroquinazolin-4-one Traditional Name: 2-[4-(azepan-1-yl)phenyl]-1-methyl-2,3-dihydroquinazolin-4-one Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(NC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CN1C(NC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C21H25N3O/c1-23-19-9-5-4-8-18(19)21(25)22-20(23)16-10-12-17(13-11-16)24-14-6-2-3-7-15-24/h4-5,8-13,20H,2-3,6-7,14-15H2,1H3,(H,22,25)