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

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-5-methyl-N-[(3S)-2-oxoazepan-3-yl]isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-5-methyl-N-[(3S)-2-oxo-3-azepanyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-[(3S)-2-oxoazepan-3-yl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-N-[(3S)-2-ketoazepan-3-yl]-5-methyl-isoxazole-4-carboxamide Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3CCCCNC3=O

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3CCCCNC3=O

InChI

InChI=1S/C17H18ClN3O3/c1-10-14(15(21-24-10)11-6-2-3-7-12(11)18)17(23)20-13-8-4-5-9-19-16(13)22/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,19,22)(H,20,23)/t13-/m0/s1