tert-butyl N-[7-oxidanylidene-1-[2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]-5,6-dihydro-2H-azepin-6-yl]carbamate

Systemtic Name: tert-butyl N-[7-oxidanylidene-1-[2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]-5,6-dihydro-2H-azepin-6-yl]carbamate Openeye Name: tert-butyl N-[1-[2-(benzylamino)-2-oxo-1-phenyl-ethyl]-7-oxo-5,6-dihydro-2H-azepin-6-yl]carbamate CAS Name: N-[7-oxo-1-[2-oxo-1-phenyl-2-[(phenylmethyl)amino]ethyl]-5,6-dihydro-2H-azepin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-(benzylamino)-2-oxo-1-phenylethyl]-7-oxo-5,6-dihydro-2H-azepin-6-yl]carbamate Traditional Name: N-[1-[2-(benzylamino)-2-keto-1-phenyl-ethyl]-7-keto-5,6-dihydro-2H-azepin-6-yl]carbamic acid tert-butyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC=CCN(C1=O)C(C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CC=CCN(C1=O)C(C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O4/c1-26(2,3)33-25(32)28-21-16-10-11-17-29(24(21)31)22(20-14-8-5-9-15-20)23(30)27-18-19-12-6-4-7-13-19/h4-15,21-22H,16-18H2,1-3H3,(H,27,30)(H,28,32)