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

Systemtic Name: ethyl 4-(2-bromanyl-3-cyano-phenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(2-bromo-3-cyano-phenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(2-bromo-3-cyanophenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromo-3-cyanophenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(2-bromo-3-cyano-phenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C19H19BrN4O2 MolecularWeight: 415.28376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2=CNNC2=N1)C3=CC=CC(=C3Br)C#N)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C2=CNNC2=N1)C3=CC=CC(=C3Br)C#N)C(=O)OCC

InChI

InChI=1S/C19H19BrN4O2/c1-3-6-14-16(19(25)26-4-2)15(13-10-22-24-18(13)23-14)12-8-5-7-11(9-21)17(12)20/h5,7-8,10,15H,3-4,6H2,1-2H3,(H2,22,23,24)