tert-butyl 3-[[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]methyl]pyrrolo[2,3-b]pyridine-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]methyl]pyrrolo[2,3-b]pyridine-1-carboxylate Openeye Name: tert-butyl 3-[[4-(5-bromo-2-pyridyl)piperazin-1-yl]methyl]pyrrolo[2,3-b]pyridine-1-carboxylate CAS Name: 3-[[4-(5-bromo-2-pyridinyl)-1-piperazinyl]methyl]-1-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-(5-bromopyridin-2-yl)piperazin-1-yl]methyl]pyrrolo[2,3-b]pyridine-1-carboxylate Traditional Name: 3-[[4-(5-bromo-2-pyridyl)piperazino]methyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester Formula: C22H26BrN5O2 MolecularWeight: 472.37814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN5O2/c1-22(2,3)30-21(29)28-15-16(18-5-4-8-24-20(18)28)14-26-9-11-27(12-10-26)19-7-6-17(23)13-25-19/h4-8,13,15H,9-12,14H2,1-3H3