methyl 1-phenyl-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: methyl 1-phenyl-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: methyl 4-(4-cinnamylpiperazin-1-yl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-phenyl-4-[4-(3-phenylprop-2-enyl)-1-piperazinyl]-5-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-phenyl-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(4-cinnamylpiperazino)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C2C(=C1N3CCN(CC3)CC=CC4=CC=CC=C4)C=NN2C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CN=C2C(=C1N3CCN(CC3)CC=CC4=CC=CC=C4)C=NN2C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2/c1-34-27(33)24-19-28-26-23(20-29-32(26)22-12-6-3-7-13-22)25(24)31-17-15-30(16-18-31)14-8-11-21-9-4-2-5-10-21/h2-13,19-20H,14-18H2,1H3