tert-butyl N-[3-[[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[[2-(2-oxoazepan-1-yl)acetyl]amino]carbamoyl]phenyl]carbamate CAS Name: N-[3-[oxo-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]hydrazo]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[[2-(2-oxoazepan-1-yl)acetyl]amino]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[[2-(2-ketoazepan-1-yl)acetyl]amino]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NNC(=O)CN2CCCCCC2=O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NNC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C20H28N4O5/c1-20(2,3)29-19(28)21-15-9-7-8-14(12-15)18(27)23-22-16(25)13-24-11-6-4-5-10-17(24)26/h7-9,12H,4-6,10-11,13H2,1-3H3,(H,21,28)(H,22,25)(H,23,27)