tert-butyl 2-oxidanylidenespiro[1H-indole-3,3'-4,7-dihydro-2H-azepine]-1'-carboxylate

Systemtic Name: tert-butyl 2-oxidanylidenespiro[1H-indole-3,3'-4,7-dihydro-2H-azepine]-1'-carboxylate Openeye Name: tert-butyl 2'-oxospiro[4,7-dihydro-2H-azepine-3,3'-indoline]-1-carboxylate CAS Name: 2-oxo-1'-spiro[1H-indole-3,3'-4,7-dihydro-2H-azepine]carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-oxospiro[1H-indole-3,3'-4,7-dihydro-2H-azepine]-1'-carboxylate Traditional Name: 2'-ketospiro[4,7-dihydro-2H-azepine-3,3'-indoline]-1-carboxylic acid tert-butyl ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=CCC2(C1)C3=CC=CC=C3NC2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=CCC2(C1)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C18H22N2O3/c1-17(2,3)23-16(22)20-11-7-6-10-18(12-20)13-8-4-5-9-14(13)19-15(18)21/h4-9H,10-12H2,1-3H3,(H,19,21)