N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenyl-phthalazine-1-carboxamide Formula: C27H28N5O2+ MolecularWeight: 454.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2/c1-19-18-21(31-16-14-30(2)15-17-31)12-13-24(19)28-26(33)25-22-10-6-7-11-23(22)27(34)32(29-25)20-8-4-3-5-9-20/h3-13,18H,14-17H2,1-2H3,(H,28,33)/p+1