2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-4-(pyridin-4-ylmethyl)phthalazin-1-one

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-4-(pyridin-4-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]-4-(4-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-oxo-2-(1-piperidinyl)ethyl]-4-(pyridin-4-ylmethyl)-1-phthalazinone IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)-4-(pyridin-4-ylmethyl)phthalazin-1-one Traditional Name: 2-(2-keto-2-piperidino-ethyl)-4-(4-pyridylmethyl)phthalazin-1-one Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4

InChI

InChI=1S/C21H22N4O2/c26-20(24-12-4-1-5-13-24)15-25-21(27)18-7-3-2-6-17(18)19(23-25)14-16-8-10-22-11-9-16/h2-3,6-11H,1,4-5,12-15H2