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

Systemtic Name: 3-[2-(4-ethanoyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C17H20N4O4/c1-12(22)19-7-4-8-20(10-9-19)15(23)11-21-17(25)14-6-3-2-5-13(14)16(24)18-21/h2-3,5-6H,4,7-11H2,1H3,(H,18,24)