ethyl 4-(2-chloranyl-3-methyl-phenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-(2-chloranyl-3-methyl-phenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(2-chloro-3-methyl-phenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(2-chloro-3-methylphenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-3-methylphenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(2-chloro-3-methyl-phenyl)-6-propyl-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:

CCCC1=C(C(C2=CNNC2=N1)C3=C(C(=CC=C3)C)Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C2=CNNC2=N1)C3=C(C(=CC=C3)C)Cl)C(=O)OCC

InChI

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