3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Formula: C22H23F3N5O2+ MolecularWeight: 446.44553

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H22F3N5O2/c1-28-9-11-30(12-10-28)18-8-7-14(22(23,24)25)13-17(18)26-20(31)19-15-5-3-4-6-16(15)21(32)29(2)27-19/h3-8,13H,9-12H2,1-2H3,(H,26,31)/p+1