N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-benzyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-benzyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-benzyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C26H29N6O+ MolecularWeight: 441.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CN=C4C(=C3)C=NN4CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CN=C4C(=C3)C=NN4CC5=CC=CC=C5

InChI

InChI=1S/C26H28N6O/c1-19-14-23(31-12-10-30(2)11-13-31)8-9-24(19)29-26(33)22-15-21-17-28-32(25(21)27-16-22)18-20-6-4-3-5-7-20/h3-9,14-17H,10-13,18H2,1-2H3,(H,29,33)/p+1