1-(azepan-1-yl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)N3CCCCCC3)OC

InChI

InChI=1S/C19H25N3O4/c1-24-15-8-7-14(13-16(15)25-2)19-20-17(26-21-19)9-10-18(23)22-11-5-3-4-6-12-22/h7-8,13H,3-6,9-12H2,1-2H3