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

Systemtic Name: ethyl 6-butyl-4-(2-methoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 6-butyl-4-(2-methoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 6-butyl-4-(2-methoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-butyl-4-(2-methoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 6-butyl-4-(2-methoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(C2=CNNC2=N1)C3=CC=CC=C3OC)C(=O)OCC

Isomeric SMILES

CCCCC1=C(C(C2=CNNC2=N1)C3=CC=CC=C3OC)C(=O)OCC

InChI

InChI=1S/C20H25N3O3/c1-4-6-10-15-18(20(24)26-5-2)17(14-12-21-23-19(14)22-15)13-9-7-8-11-16(13)25-3/h7-9,11-12,17H,4-6,10H2,1-3H3,(H2,21,22,23)