1-(azepan-1-yl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[5-(3,4-dimethoxyphenyl)-3-isoxazolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]ethanone Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)CC(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)CC(=O)N3CCCCCC3)OC

InChI

InChI=1S/C19H24N2O4/c1-23-16-8-7-14(11-18(16)24-2)17-12-15(20-25-17)13-19(22)21-9-5-3-4-6-10-21/h7-8,11-12H,3-6,9-10,13H2,1-2H3