5-[(2-chloranyl-4-methoxy-phenoxy)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(2-chloranyl-4-methoxy-phenoxy)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(2-chloro-4-methoxy-phenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]isoxazole-3-carboxamide CAS Name: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3S)-2-oxo-3-azepanyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(2-chloro-4-methoxy-phenoxy)methyl]-N-[(3S)-2-ketoazepan-3-yl]isoxazole-3-carboxamide Formula: C18H20ClN3O5 MolecularWeight: 393.8215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)NC3CCCCNC3=O)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)N[C@H]3CCCCNC3=O)Cl

InChI

InChI=1S/C18H20ClN3O5/c1-25-11-5-6-16(13(19)8-11)26-10-12-9-15(22-27-12)18(24)21-14-4-2-3-7-20-17(14)23/h5-6,8-9,14H,2-4,7,10H2,1H3,(H,20,23)(H,21,24)/t14-/m0/s1