tert-butyl N-[[4-[[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]carbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[[[2-(2-oxoazepan-1-yl)acetyl]amino]carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[oxo-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]hydrazo]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[[2-(2-oxoazepan-1-yl)acetyl]amino]carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[[[2-(2-ketoazepan-1-yl)acetyl]amino]carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NNC(=O)CN2CCCCCC2=O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NNC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C21H30N4O5/c1-21(2,3)30-20(29)22-13-15-8-10-16(11-9-15)19(28)24-23-17(26)14-25-12-6-4-5-7-18(25)27/h8-11H,4-7,12-14H2,1-3H3,(H,22,29)(H,23,26)(H,24,28)