2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(4-pyridylmethyl)piperazino]methyl]phthalazin-1-one Formula: C19H21N5O MolecularWeight: 335.40294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C19H21N5O/c25-19-18-4-2-1-3-17(18)13-21-24(19)15-23-11-9-22(10-12-23)14-16-5-7-20-8-6-16/h1-8,13H,9-12,14-15H2