2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]-4-(3-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]-4-(3-pyridinylmethyl)-1-phthalazinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]-4-(3-pyridylmethyl)phthalazin-1-one Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4

InChI

InChI=1S/C22H24N4O2/c27-21(25-12-5-1-2-6-13-25)16-26-22(28)19-10-4-3-9-18(19)20(24-26)14-17-8-7-11-23-15-17/h3-4,7-11,15H,1-2,5-6,12-14,16H2