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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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