3-(4-ethoxyphenyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(4-ethoxyphenyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(4-ethoxyphenyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(4-ethoxyphenyl)-N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(4-ethoxyphenyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-p-phenetyl-phthalazine-1-carboxamide Formula: C25H33N5O3+2 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C25H31N5O3/c1-3-33-20-11-9-19(10-12-20)30-25(32)22-8-5-4-7-21(22)23(27-30)24(31)26-13-6-14-29-17-15-28(2)16-18-29/h4-5,7-12H,3,6,13-18H2,1-2H3,(H,26,31)/p+2