tert-butyl N-[(3S)-1-(2-chloroethylcarbamoyl)-2-oxidanylidene-azepan-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-1-(2-chloroethylcarbamoyl)-2-oxidanylidene-azepan-3-yl]carbamate Openeye Name: tert-butyl N-[(3S)-1-(2-chloroethylcarbamoyl)-2-oxo-azepan-3-yl]carbamate CAS Name: N-[(3S)-1-[(2-chloroethylamino)-oxomethyl]-2-oxo-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-1-(2-chloroethylcarbamoyl)-2-oxoazepan-3-yl]carbamate Traditional Name: N-[(3S)-1-(2-chloroethylcarbamoyl)-2-keto-azepan-3-yl]carbamic acid tert-butyl ester Formula: C14H24ClN3O4 MolecularWeight: 333.81106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCN(C1=O)C(=O)NCCCl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCCCN(C1=O)C(=O)NCCCl

InChI

InChI=1S/C14H24ClN3O4/c1-14(2,3)22-13(21)17-10-6-4-5-9-18(11(10)19)12(20)16-8-7-15/h10H,4-9H2,1-3H3,(H,16,20)(H,17,21)/t10-/m0/s1