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

Systemtic Name: ethyl 4-(2,1,3-benzoxadiazol-4-yl)-6-butyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(2,1,3-benzoxadiazol-4-yl)-6-butyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-6-butyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,1,3-benzoxadiazol-4-yl)-6-butyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-benzofurazan-4-yl-6-butyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(C2=CNNC2=N1)C3=CC=CC4=NON=C43)C(=O)OCC

Isomeric SMILES

CCCCC1=C(C(C2=CNNC2=N1)C3=CC=CC4=NON=C43)C(=O)OCC

InChI

InChI=1S/C19H21N5O3/c1-3-5-8-13-16(19(25)26-4-2)15(12-10-20-22-18(12)21-13)11-7-6-9-14-17(11)24-27-23-14/h6-7,9-10,15H,3-5,8H2,1-2H3,(H2,20,21,22)