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

Systemtic Name: azepan-1-yl-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone Openeye Name: azepan-1-yl-[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methanone CAS Name: 1-azepanyl-[5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methanone IUPAC Name: azepan-1-yl-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone Traditional Name: azepan-1-yl-[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methanone Formula: C18H22N2O4 MolecularWeight: 330.37828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-22-15-8-7-13(11-17(15)23-2)16-12-14(19-24-16)18(21)20-9-5-3-4-6-10-20/h7-8,11-12H,3-6,9-10H2,1-2H3