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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O5/c1-25-16-8-11(19)5-6-15(16)26-10-12-9-14(22-27-12)18(24)21-13-4-2-3-7-20-17(13)23/h5-6,8-9,13H,2-4,7,10H2,1H3,(H,20,23)(H,21,24)/t13-/m0/s1