5-[(3-methoxyphenoxy)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(3-methoxyphenoxy)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(3-methoxyphenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]isoxazole-3-carboxamide CAS Name: 5-[(3-methoxyphenoxy)methyl]-N-[(3S)-2-oxo-3-azepanyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(3-methoxyphenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-5-[(3-methoxyphenoxy)methyl]isoxazole-3-carboxamide Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c1-24-12-5-4-6-13(9-12)25-11-14-10-16(21-26-14)18(23)20-15-7-2-3-8-19-17(15)22/h4-6,9-10,15H,2-3,7-8,11H2,1H3,(H,19,22)(H,20,23)/t15-/m0/s1