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

Systemtic Name: 2-[2-oxidanylidene-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-oxo-2-[4-(1-piperidyl)-1-piperidyl]ethyl]-4-(3-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-oxo-2-[4-(1-piperidinyl)-1-piperidinyl]ethyl]-4-(3-pyridinylmethyl)-1-phthalazinone IUPAC Name: 2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-keto-2-(4-piperidinopiperidino)ethyl]-4-(3-pyridylmethyl)phthalazin-1-one Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

InChI

InChI=1S/C26H31N5O2/c32-25(30-15-10-21(11-16-30)29-13-4-1-5-14-29)19-31-26(33)23-9-3-2-8-22(23)24(28-31)17-20-7-6-12-27-18-20/h2-3,6-9,12,18,21H,1,4-5,10-11,13-17,19H2