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

Systemtic Name: tert-butyl 6-(2-benzamidoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Openeye Name: tert-butyl 6-(2-benzamidoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate CAS Name: 6-(2-benzamidoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(2-benzamidoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Traditional Name: 6-(2-benzamidoethyl)-1,2,4,5-tetrahydroazepin[4,5-b]indole-3-carboxylic acid tert-butyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)N(C3=CC=CC=C23)CCNC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)N(C3=CC=CC=C23)CCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3/c1-26(2,3)32-25(31)28-16-13-21-20-11-7-8-12-22(20)29(23(21)14-17-28)18-15-27-24(30)19-9-5-4-6-10-19/h4-12H,13-18H2,1-3H3,(H,27,30)