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

Systemtic Name: 4-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-[4-(azepane-1-carbonyl)-1-piperidyl]-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 4-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-[4-(azepane-1-carbonyl)piperidino]-2-keto-ethyl]-2-methyl-phthalazin-1-one Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-25-23(30)19-9-5-4-8-18(19)20(24-25)16-21(28)26-14-10-17(11-15-26)22(29)27-12-6-2-3-7-13-27/h4-5,8-9,17H,2-3,6-7,10-16H2,1H3