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

Systemtic Name: ethyl 6-butyl-4-(2-chlorophenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 6-butyl-4-(2-chlorophenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 6-butyl-4-(2-chlorophenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-butyl-4-(2-chlorophenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 6-butyl-4-(2-chlorophenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C19H22ClN3O2 MolecularWeight: 359.84988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(C2=CNNC2=N1)C3=CC=CC=C3Cl)C(=O)OCC

Isomeric SMILES

CCCCC1=C(C(C2=CNNC2=N1)C3=CC=CC=C3Cl)C(=O)OCC

InChI

InChI=1S/C19H22ClN3O2/c1-3-5-10-15-17(19(24)25-4-2)16(12-8-6-7-9-14(12)20)13-11-21-23-18(13)22-15/h6-9,11,16H,3-5,10H2,1-2H3,(H2,21,22,23)