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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-4-(4-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-4-(pyridin-4-ylmethyl)-1-phthalazinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-(4-benzylpiperidino)-2-keto-ethyl]-4-(4-pyridylmethyl)phthalazin-1-one Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

InChI

InChI=1S/C28H28N4O2/c33-27(31-16-12-23(13-17-31)18-21-6-2-1-3-7-21)20-32-28(34)25-9-5-4-8-24(25)26(30-32)19-22-10-14-29-15-11-22/h1-11,14-15,23H,12-13,16-20H2