N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethynyl-aniline

Systemtic Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethynyl-aniline Openeye Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethynyl-aniline CAS Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethynylaniline IUPAC Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethynylaniline Traditional Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-(3-ethynylphenyl)amine Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CNC3=CC=CC(=C3)C#C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CNC3=CC=CC(=C3)C#C)OC

InChI

InChI=1S/C19H17N3O3/c1-4-13-6-5-7-15(10-13)20-12-18-21-19(22-25-18)14-8-9-16(23-2)17(11-14)24-3/h1,5-11,20H,12H2,2-3H3