tert-butyl 4-oxidanylidene-2-pyridin-3-yl-azepane-1-carboxylate

Systemtic Name: tert-butyl 4-oxidanylidene-2-pyridin-3-yl-azepane-1-carboxylate Openeye Name: tert-butyl 4-oxo-2-(3-pyridyl)azepane-1-carboxylate CAS Name: 4-oxo-2-(3-pyridinyl)-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-oxo-2-pyridin-3-ylazepane-1-carboxylate Traditional Name: 4-keto-2-(3-pyridyl)azepane-1-carboxylic acid tert-butyl ester Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(=O)CC1C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(=O)CC1C2=CN=CC=C2

InChI

InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-9-5-7-13(19)10-14(18)12-6-4-8-17-11-12/h4,6,8,11,14H,5,7,9-10H2,1-3H3