diethyl 4-(2-chlorophenyl)-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2,5-dicarboxylate

Systemtic Name: diethyl 4-(2-chlorophenyl)-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2,5-dicarboxylate Openeye Name: diethyl 4-(2-chlorophenyl)-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2,5-dicarboxylate CAS Name: 4-(2-chlorophenyl)-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-chlorophenyl)-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2,5-dicarboxylate Traditional Name: 4-(2-chlorophenyl)-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2,5-dicarboxylic acid diethyl ester Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2=CN(NC2=N1)C(=O)OCC)C3=CC=CC=C3Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C2=CN(NC2=N1)C(=O)OCC)C3=CC=CC=C3Cl)C(=O)OCC

InChI

InChI=1S/C21H24ClN3O4/c1-4-9-16-18(20(26)28-5-2)17(13-10-7-8-11-15(13)22)14-12-25(21(27)29-6-3)24-19(14)23-16/h7-8,10-12,17H,4-6,9H2,1-3H3,(H,23,24)