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

Systemtic Name: 5-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(2-chloro-4-fluoro-phenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]isoxazole-3-carboxamide CAS Name: 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3S)-2-oxo-3-azepanyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(2-chloro-4-fluoro-phenoxy)methyl]-N-[(3S)-2-ketoazepan-3-yl]isoxazole-3-carboxamide Formula: C17H17ClFN3O4 MolecularWeight: 381.785983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H17ClFN3O4/c18-12-7-10(19)4-5-15(12)25-9-11-8-14(22-26-11)17(24)21-13-3-1-2-6-20-16(13)23/h4-5,7-8,13H,1-3,6,9H2,(H,20,23)(H,21,24)/t13-/m0/s1