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

Systemtic Name: 4-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 4-[2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-2-oxoethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-2-keto-ethyl]-2-methyl-phthalazin-1-one Formula: C23H31N5O3 MolecularWeight: 425.52394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H31N5O3/c1-25-23(31)19-9-5-4-8-18(19)20(24-25)16-21(29)28-14-12-26(13-15-28)17-22(30)27-10-6-2-3-7-11-27/h4-5,8-9H,2-3,6-7,10-17H2,1H3