N-[4-(azepan-1-yl)phenyl]-2-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(6-chloro-2-keto-1,3-benzoxazol-3-yl)acetamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C21H22ClN3O3/c22-15-5-10-18-19(13-15)28-21(27)25(18)14-20(26)23-16-6-8-17(9-7-16)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12,14H2,(H,23,26)