N-[(3,4-dimethoxyphenyl)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-[4-(1-pyrrolyl)phenyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-(4-pyrrol-1-ylphenyl)-N-veratryl-1,2,4-oxadiazole-5-carboxamide Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=NC(=NO2)C3=CC=C(C=C3)N4C=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=NC(=NO2)C3=CC=C(C=C3)N4C=CC=C4)OC

InChI

InChI=1S/C22H20N4O4/c1-28-18-10-5-15(13-19(18)29-2)14-23-21(27)22-24-20(25-30-22)16-6-8-17(9-7-16)26-11-3-4-12-26/h3-13H,14H2,1-2H3,(H,23,27)