tert-butyl 4-[5-bromanyl-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-bromanyl-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-bromo-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperazine-1-carboxylate CAS Name: 4-[5-bromo-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-bromo-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[5-bromo-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H27BrN4O3 MolecularWeight: 487.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(NC3=NC=C(C=C23)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(NC3=NC=C(C=C23)Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27BrN4O3/c1-23(2,3)31-22(29)28-11-9-27(10-12-28)20-18-13-16(24)14-25-21(18)26-19(20)15-5-7-17(30-4)8-6-15/h5-8,13-14H,9-12H2,1-4H3,(H,25,26)