(phenylmethyl) 4-(2-chlorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-chlorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: benzyl 4-(2-chlorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(2-chlorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-chlorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(2-chlorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid benzyl ester Formula: C21H18ClN3O2 MolecularWeight: 379.83952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=CNNC2=N1)C3=CC=CC=C3Cl)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2=CNNC2=N1)C3=CC=CC=C3Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H18ClN3O2/c1-13-18(21(26)27-12-14-7-3-2-4-8-14)19(15-9-5-6-10-17(15)22)16-11-23-25-20(16)24-13/h2-11,19H,12H2,1H3,(H2,23,24,25)