tert-butyl 3-(4-iodophenyl)-1-(oxiran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

Systemtic Name: tert-butyl 3-(4-iodophenyl)-1-(oxiran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate Openeye Name: tert-butyl 3-(4-iodophenyl)-1-(oxiran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate CAS Name: 3-(4-iodophenyl)-1-(2-oxiranylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-iodophenyl)-1-(oxiran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate Traditional Name: 1-glycidyl-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C20H24IN3O3 MolecularWeight: 481.32733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2CC3CO3)C4=CC=C(C=C4)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2CC3CO3)C4=CC=C(C=C4)I

InChI

InChI=1S/C20H24IN3O3/c1-20(2,3)27-19(25)23-9-8-17-16(11-23)18(13-4-6-14(21)7-5-13)22-24(17)10-15-12-26-15/h4-7,15H,8-12H2,1-3H3