tert-butyl 3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]pyrrolo[2,3-b]pyridine-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]pyrrolo[2,3-b]pyridine-1-carboxylate Openeye Name: tert-butyl 3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]pyrrolo[2,3-b]pyridine-1-carboxylate CAS Name: 3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]pyrrolo[2,3-b]pyridine-1-carboxylate Traditional Name: 3-[[4-(4-iodophenyl)piperazino]methyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester Formula: C23H27IN4O2 MolecularWeight: 518.39055

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1N=CC=C2)CN3CCN(CC3)C4=CC=C(C=C4)I

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1N=CC=C2)CN3CCN(CC3)C4=CC=C(C=C4)I

InChI

InChI=1S/C23H27IN4O2/c1-23(2,3)30-22(29)28-16-17(20-5-4-10-25-21(20)28)15-26-11-13-27(14-12-26)19-8-6-18(24)7-9-19/h4-10,16H,11-15H2,1-3H3