N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-6-phenyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C28H33N6O+ MolecularWeight: 469.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=NC4=C3C=NN4C(C)C)C5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=NC4=C3C=NN4C(C)C)C5=CC=CC=C5

InChI

InChI=1S/C28H32N6O/c1-4-32-14-16-33(17-15-32)26-13-9-8-12-24(26)31-28(35)22-18-25(21-10-6-5-7-11-21)30-27-23(22)19-29-34(27)20(2)3/h5-13,18-20H,4,14-17H2,1-3H3,(H,31,35)/p+1