2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C27H28N5O2+ MolecularWeight: 454.54352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C27H27N5O2/c33-26(18-25-23-8-4-5-9-24(23)27(34)30-29-25)28-21-10-12-22(13-11-21)32-16-14-31(15-17-32)19-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,28,33)(H,30,34)/p+1