4-[3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-N-phenyl-butanamide

Systemtic Name: 4-[3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-N-phenyl-butanamide Openeye Name: 4-[3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-N-phenyl-butanamide CAS Name: 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide IUPAC Name: 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide Traditional Name: 4-[3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-N-phenyl-butyramide Formula: C21H22BrN3O4 MolecularWeight: 460.32108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2=NOC(=N2)CCCC(=O)NC3=CC=CC=C3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2=NOC(=N2)CCCC(=O)NC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C21H22BrN3O4/c1-3-28-17-13-14(12-16(22)20(17)27-2)21-24-19(29-25-21)11-7-10-18(26)23-15-8-5-4-6-9-15/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H,23,26)