4-[4-(azepan-1-yl)phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-(azepan-1-yl)phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(azepan-1-yl)phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(1-azepanyl)phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(azepan-1-yl)phenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(azepan-1-yl)phenyl]-2H-phthalazin-1-one Formula: C20H21N3O MolecularWeight: 319.40024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H21N3O/c24-20-18-8-4-3-7-17(18)19(21-22-20)15-9-11-16(12-10-15)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24)