methyl 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: methyl 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: methyl 4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester Formula: C31H30N5O2+ MolecularWeight: 504.6022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C2C(=C1N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C=NN2C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=CN=C2C(=C1N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C=NN2C6=CC=CC=C6

InChI

InChI=1S/C31H29N5O2/c1-38-31(37)27-21-32-30-26(22-33-36(30)25-15-9-4-10-16-25)29(27)35-19-17-34(18-20-35)28(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,21-22,28H,17-20H2,1H3/p+1