tert-butyl N-[(3R)-2-oxidanylidene-6-pyridin-2-yl-azepan-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3R)-2-oxidanylidene-6-pyridin-2-yl-azepan-3-yl]carbamate Openeye Name: tert-butyl N-[(3R)-2-oxo-6-(2-pyridyl)azepan-3-yl]carbamate CAS Name: N-[(3R)-2-oxo-6-(2-pyridinyl)-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3R)-2-oxo-6-pyridin-2-ylazepan-3-yl]carbamate Traditional Name: N-[(3R)-2-keto-6-(2-pyridyl)azepan-3-yl]carbamic acid tert-butyl ester Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CNC1=O)C2=CC=CC=N2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1CCC(CNC1=O)C2=CC=CC=N2

InChI

InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-13-8-7-11(10-18-14(13)20)12-6-4-5-9-17-12/h4-6,9,11,13H,7-8,10H2,1-3H3,(H,18,20)(H,19,21)/t11?,13-/m1/s1