tert-butyl 3-(4-iodophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

Systemtic Name: tert-butyl 3-(4-iodophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate Openeye Name: tert-butyl 3-(4-iodophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate CAS Name: 3-(4-iodophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-iodophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate Traditional Name: 3-(4-iodophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C17H20IN3O2 MolecularWeight: 425.26407

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2)C3=CC=C(C=C3)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H20IN3O2/c1-17(2,3)23-16(22)21-9-8-14-13(10-21)15(20-19-14)11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3,(H,19,20)