5-[(2,3-dimethylphenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(2,3-dimethylphenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole Openeye Name: 5-[(2,3-dimethylphenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole CAS Name: 5-[(2,3-dimethylphenoxy)methyl]-3-[4-(1-pyrrolyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 5-[(2,3-dimethylphenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[(2,3-dimethylphenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)N4C=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)N4C=CC=C4)C

InChI

InChI=1S/C21H19N3O2/c1-15-6-5-7-19(16(15)2)25-14-20-22-21(23-26-20)17-8-10-18(11-9-17)24-12-3-4-13-24/h3-13H,14H2,1-2H3