tert-butyl N-[1-[2-[2-(azidomethyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-[2-(azidomethyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]carbamate Openeye Name: tert-butyl N-[1-[2-[2-(azidomethyl)pyrrolidin-1-yl]-2-oxo-ethyl]-2-oxo-azepan-3-yl]carbamate CAS Name: N-[1-[2-[2-(azidomethyl)-1-pyrrolidinyl]-2-oxoethyl]-2-oxo-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-[2-(azidomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxoazepan-3-yl]carbamate Traditional Name: N-[1-[2-[2-(azidomethyl)pyrrolidino]-2-keto-ethyl]-2-keto-azepan-3-yl]carbamic acid tert-butyl ester Formula: C18H30N6O4 MolecularWeight: 394.4686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCN(C1=O)CC(=O)N2CCCC2CN=[N+]=[N-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCCN(C1=O)CC(=O)N2CCCC2CN=[N+]=[N-]

InChI

InChI=1S/C18H30N6O4/c1-18(2,3)28-17(27)21-14-8-4-5-9-23(16(14)26)12-15(25)24-10-6-7-13(24)11-20-22-19/h13-14H,4-12H2,1-3H3,(H,21,27)