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

Systemtic Name: 2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(4-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-4-(pyridin-4-ylmethyl)-1-phthalazinone IUPAC Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-keto-2-(4-phenylpiperazino)ethyl]-4-(4-pyridylmethyl)phthalazin-1-one Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

InChI

InChI=1S/C26H25N5O2/c32-25(30-16-14-29(15-17-30)21-6-2-1-3-7-21)19-31-26(33)23-9-5-4-8-22(23)24(28-31)18-20-10-12-27-13-11-20/h1-13H,14-19H2