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

Systemtic Name: tert-butyl 5-bromanyl-2-[5-(furan-3-ylmethylamino)pyridin-3-yl]indole-1-carboxylate Openeye Name: tert-butyl 5-bromo-2-[5-(3-furylmethylamino)-3-pyridyl]indole-1-carboxylate CAS Name: 5-bromo-2-[5-(3-furanylmethylamino)-3-pyridinyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-2-[5-(furan-3-ylmethylamino)pyridin-3-yl]indole-1-carboxylate Traditional Name: 5-bromo-2-[5-(3-furfurylamino)-3-pyridyl]indole-1-carboxylic acid tert-butyl ester Formula: C23H22BrN3O3 MolecularWeight: 468.34308

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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=COC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O3/c1-23(2,3)30-22(28)27-20-5-4-18(24)8-16(20)10-21(27)17-9-19(13-25-12-17)26-11-15-6-7-29-14-15/h4-10,12-14,26H,11H2,1-3H3