4-(azepan-1-ylcarbonyl)-2-methyl-phthalazin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-methyl-phthalazin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-methyl-phthalazin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-methyl-1-phthalazinone IUPAC Name: 4-(azepane-1-carbonyl)-2-methylphthalazin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-methyl-phthalazin-1-one Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2/c1-18-15(20)13-9-5-4-8-12(13)14(17-18)16(21)19-10-6-2-3-7-11-19/h4-5,8-9H,2-3,6-7,10-11H2,1H3