2-(phenylmethyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-(phenylmethyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one Formula: C26H26N5O2+ MolecularWeight: 440.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

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