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

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-2-methyl-phthalazin-1-one Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCCCCC3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCCCCC3

InChI

InChI=1S/C17H21N3O2/c1-19-17(22)14-9-5-4-8-13(14)15(18-19)12-16(21)20-10-6-2-3-7-11-20/h4-5,8-9H,2-3,6-7,10-12H2,1H3