4-(azepan-1-ylcarbonyl)-2H-phthalazin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2H-phthalazin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2H-phthalazin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2H-phthalazin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-2H-phthalazin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2H-phthalazin-1-one Formula: C15H17N3O2 MolecularWeight: 271.31438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H17N3O2/c19-14-12-8-4-3-7-11(12)13(16-17-14)15(20)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-10H2,(H,17,19)