tert-butyl 6-(2-azidoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate

Systemtic Name: tert-butyl 6-(2-azidoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Openeye Name: tert-butyl 6-(2-azidoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate CAS Name: 6-(2-azidoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(2-azidoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Traditional Name: 6-(2-azidoethyl)-1,2,4,5-tetrahydroazepin[4,5-b]indole-3-carboxylic acid tert-butyl ester Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)N(C3=CC=CC=C23)CCN=[N+]=[N-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)N(C3=CC=CC=C23)CCN=[N+]=[N-]

InChI

InChI=1S/C19H25N5O2/c1-19(2,3)26-18(25)23-11-8-15-14-6-4-5-7-16(14)24(13-10-21-22-20)17(15)9-12-23/h4-7H,8-13H2,1-3H3