3-oxidanylidene-2-[2-(3-pyridin-2-ylphenyl)ethanoyl]azepane-1-carboxamide

Systemtic Name: 3-oxidanylidene-2-[2-(3-pyridin-2-ylphenyl)ethanoyl]azepane-1-carboxamide Openeye Name: 3-oxo-2-[2-[3-(2-pyridyl)phenyl]acetyl]azepane-1-carboxamide CAS Name: 3-oxo-2-[1-oxo-2-[3-(2-pyridinyl)phenyl]ethyl]-1-azepanecarboxamide IUPAC Name: 3-oxo-2-[2-(3-pyridin-2-ylphenyl)acetyl]azepane-1-carboxamide Traditional Name: 3-keto-2-[2-[3-(2-pyridyl)phenyl]acetyl]azepane-1-carboxamide Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C(=O)C1)C(=O)CC2=CC=CC(=C2)C3=CC=CC=N3)C(=O)N

Isomeric SMILES

C1CCN(C(C(=O)C1)C(=O)CC2=CC=CC(=C2)C3=CC=CC=N3)C(=O)N

InChI

InChI=1S/C20H21N3O3/c21-20(26)23-11-4-2-9-17(24)19(23)18(25)13-14-6-5-7-15(12-14)16-8-1-3-10-22-16/h1,3,5-8,10,12,19H,2,4,9,11,13H2,(H2,21,26)