2-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]phthalazine-1,4-dione

Systemtic Name: 2-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]phthalazine-1,4-dione Openeye Name: 2-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]phthalazine-1,4-dione CAS Name: 2-phenyl-3-[4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]butyl]phthalazine-1,4-dione IUPAC Name: 2-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]phthalazine-1,4-dione Traditional Name: 2-phenyl-3-[4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]butyl]phthalazine-1,4-quinone Formula: C26H29N6O2+ MolecularWeight: 457.54746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C26H28N6O2/c33-24-22-11-4-5-12-23(22)25(34)32(21-9-2-1-3-10-21)31(24)16-7-6-15-29-17-19-30(20-18-29)26-27-13-8-14-28-26/h1-5,8-14H,6-7,15-20H2/p+1