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

Systemtic Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-phenyl-phthalazine-1-carboxamide Formula: C23H29N5O2+2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c1-26-14-16-27(17-15-26)13-7-12-24-22(29)21-19-10-5-6-11-20(19)23(30)28(25-21)18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3,(H,24,29)/p+2