1-(2-cyanoethyl)-6-(4-cyclohexylphenyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 1-(2-cyanoethyl)-6-(4-cyclohexylphenyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 1-(2-cyanoethyl)-6-(4-cyclohexylphenyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-(2-cyanoethyl)-6-(4-cyclohexylphenyl)-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 1-(2-cyanoethyl)-6-(4-cyclohexylphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-6-(4-cyclohexylphenyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate Formula: C23H23N4O2- MolecularWeight: 387.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)C4CCCCC4)C(=O)[O-])CCC#N

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)C4CCCCC4)C(=O)[O-])CCC#N

InChI

InChI=1S/C23H24N4O2/c1-15-21-19(23(28)29)14-20(25-22(21)27(26-15)13-5-12-24)18-10-8-17(9-11-18)16-6-3-2-4-7-16/h8-11,14,16H,2-7,13H2,1H3,(H,28,29)/p-1