3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C16H19N3O3/c20-14(18-9-5-1-2-6-10-18)11-19-16(22)13-8-4-3-7-12(13)15(21)17-19/h3-4,7-8H,1-2,5-6,9-11H2,(H,17,21)