4-[[4-(6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(6-phenyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C28H29N6O+ MolecularWeight: 465.56946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H28N6O/c1-20(2)34-27-25(18-30-34)24(16-26(31-27)23-6-4-3-5-7-23)28(35)33-14-12-32(13-15-33)19-22-10-8-21(17-29)9-11-22/h3-11,16,18,20H,12-15,19H2,1-2H3/p+1