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

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

Isomeric SMILES

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

InChI

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