tert-butyl 5-bromanyl-2-[5-(pyridin-3-ylmethylamino)pyridin-3-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-2-[5-(pyridin-3-ylmethylamino)pyridin-3-yl]indole-1-carboxylate Openeye Name: tert-butyl 5-bromo-2-[5-(3-pyridylmethylamino)-3-pyridyl]indole-1-carboxylate CAS Name: 5-bromo-2-[5-(3-pyridinylmethylamino)-3-pyridinyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-2-[5-(pyridin-3-ylmethylamino)pyridin-3-yl]indole-1-carboxylate Traditional Name: 5-bromo-2-[5-(3-pyridylmethylamino)-3-pyridyl]indole-1-carboxylic acid tert-butyl ester Formula: C24H23BrN4O2 MolecularWeight: 479.36902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)C=C1C3=CC(=CN=C3)NCC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)C=C1C3=CC(=CN=C3)NCC4=CN=CC=C4

InChI

InChI=1S/C24H23BrN4O2/c1-24(2,3)31-23(30)29-21-7-6-19(25)9-17(21)11-22(29)18-10-20(15-27-14-18)28-13-16-5-4-8-26-12-16/h4-12,14-15,28H,13H2,1-3H3