4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H28N4O3/c1-24-21(28)18-9-5-4-8-17(18)19(23-24)22(29)26-14-10-16(11-15-26)20(27)25-12-6-2-3-7-13-25/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3