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

Systemtic Name: tert-butyl 6-(2-azanyl-2-oxidanylidene-ethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Openeye Name: tert-butyl 6-(2-amino-2-oxo-ethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate CAS Name: 6-(2-amino-2-oxoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(2-amino-2-oxoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Traditional Name: 6-(2-amino-2-keto-ethyl)-1,2,4,5-tetrahydroazepin[4,5-b]indole-3-carboxylic acid tert-butyl ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3/c1-19(2,3)25-18(24)21-10-8-14-13-6-4-5-7-15(13)22(12-17(20)23)16(14)9-11-21/h4-7H,8-12H2,1-3H3,(H2,20,23)