1-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-5-one

Systemtic Name: 1-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-5-one Openeye Name: 1-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-5-one CAS Name: 1-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-5-one Traditional Name: 1-[(3-veratryl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-5-one Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NOC(=N2)CN3CCC(=O)NCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NOC(=N2)CN3CCC(=O)NCC3)OC

InChI

InChI=1S/C17H22N4O4/c1-23-13-4-3-12(9-14(13)24-2)10-15-19-17(25-20-15)11-21-7-5-16(22)18-6-8-21/h3-4,9H,5-8,10-11H2,1-2H3,(H,18,22)