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

Systemtic Name: tert-butyl 6-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Openeye Name: tert-butyl 6-(2-anilino-2-oxo-ethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate CAS Name: 6-(2-anilino-2-oxoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(2-anilino-2-oxoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Traditional Name: 6-(2-anilino-2-keto-ethyl)-1,2,4,5-tetrahydroazepin[4,5-b]indole-3-carboxylic acid tert-butyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)N(C3=CC=CC=C23)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)N(C3=CC=CC=C23)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c1-25(2,3)31-24(30)27-15-13-20-19-11-7-8-12-21(19)28(22(20)14-16-27)17-23(29)26-18-9-5-4-6-10-18/h4-12H,13-17H2,1-3H3,(H,26,29)