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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2=NOC(=N2)CCC(=O)NCC3=CC=CC=C3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2=NOC(=N2)CCC(=O)NCC3=CC=CC=C3)Br)OC

InChI

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