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

Systemtic Name: 5-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]isoxazole-3-carboxamide CAS Name: 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3S)-2-oxo-3-azepanyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-[(3S)-2-ketoazepan-3-yl]isoxazole-3-carboxamide Formula: C19H22ClN3O4 MolecularWeight: 391.84868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC2=CC(=NO2)C(=O)NC3CCCCNC3=O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC2=CC(=NO2)C(=O)N[C@H]3CCCCNC3=O

InChI

InChI=1S/C19H22ClN3O4/c1-11-7-13(8-12(2)17(11)20)26-10-14-9-16(23-27-14)19(25)22-15-5-3-4-6-21-18(15)24/h7-9,15H,3-6,10H2,1-2H3,(H,21,24)(H,22,25)/t15-/m0/s1