tert-butyl 4-(2-chlorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: tert-butyl 4-(2-chlorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: tert-butyl 4-(2-chlorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(2-chlorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chlorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(2-chlorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid tert-butyl ester Formula: C18H20ClN3O2 MolecularWeight: 345.8233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=CNNC2=N1)C3=CC=CC=C3Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C2=CNNC2=N1)C3=CC=CC=C3Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H20ClN3O2/c1-10-14(17(23)24-18(2,3)4)15(11-7-5-6-8-13(11)19)12-9-20-22-16(12)21-10/h5-9,15H,1-4H3,(H2,20,21,22)