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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-ethyl-phthalazin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-ethyl-phthalazin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-ethyl-1-phthalazinone IUPAC Name: 4-(azepane-1-carbonyl)-2-ethylphthalazin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-ethyl-phthalazin-1-one Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCCCC3

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCCCC3

InChI

InChI=1S/C17H21N3O2/c1-2-20-16(21)14-10-6-5-9-13(14)15(18-20)17(22)19-11-7-3-4-8-12-19/h5-6,9-10H,2-4,7-8,11-12H2,1H3