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

Systemtic Name: 3-methyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]phthalazine-1-carboxamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2/c1-15-14-16(27-12-10-25(2)11-13-27)8-9-19(15)23-21(28)20-17-6-4-5-7-18(17)22(29)26(3)24-20/h4-9,14H,10-13H2,1-3H3,(H,23,28)/p+1