4-(4-methoxycarbonyl-3-methyl-6-phenyl-pyrazolo[3,4-b]pyridin-1-yl)benzoate

Systemtic Name: 4-(4-methoxycarbonyl-3-methyl-6-phenyl-pyrazolo[3,4-b]pyridin-1-yl)benzoate Openeye Name: 4-(4-methoxycarbonyl-3-methyl-6-phenyl-pyrazolo[3,4-b]pyridin-1-yl)benzoate CAS Name: 4-(4-methoxycarbonyl-3-methyl-6-phenyl-1-pyrazolo[3,4-b]pyridinyl)benzoate IUPAC Name: 4-(4-methoxycarbonyl-3-methyl-6-phenylpyrazolo[3,4-b]pyridin-1-yl)benzoate Traditional Name: 4-(4-carbomethoxy-3-methyl-6-phenyl-pyrazolo[3,4-b]pyridin-1-yl)benzoate Formula: C22H16N3O4- MolecularWeight: 386.38014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H17N3O4/c1-13-19-17(22(28)29-2)12-18(14-6-4-3-5-7-14)23-20(19)25(24-13)16-10-8-15(9-11-16)21(26)27/h3-12H,1-2H3,(H,26,27)/p-1