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

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-2H-phthalazin-1-one Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H19N3O2/c20-15(19-9-5-1-2-6-10-19)11-14-12-7-3-4-8-13(12)16(21)18-17-14/h3-4,7-8H,1-2,5-6,9-11H2,(H,18,21)