4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-2-phenyl-phthalazin-1-one

Systemtic Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c32-26-24-14-8-7-13-23(24)25(28-31(26)21-9-3-1-4-10-21)27(33)30-17-15-29(16-18-30)19-20-34-22-11-5-2-6-12-22/h1-14H,15-20H2/p+1