2-(4-chloranylphenoxy)-2-methyl-N-[(3R)-2-oxidanylideneazepan-3-yl]propanamide

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-N-[(3R)-2-oxidanylideneazepan-3-yl]propanamide Openeye Name: 2-(4-chlorophenoxy)-2-methyl-N-[(3R)-2-oxoazepan-3-yl]propanamide CAS Name: 2-(4-chlorophenoxy)-2-methyl-N-[(3R)-2-oxo-3-azepanyl]propanamide IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-N-[(3R)-2-oxoazepan-3-yl]propanamide Traditional Name: 2-(4-chlorophenoxy)-N-[(3R)-2-ketoazepan-3-yl]-2-methyl-propionamide Formula: C16H21ClN2O3 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1CCCCNC1=O)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C(=O)N[C@@H]1CCCCNC1=O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H21ClN2O3/c1-16(2,22-12-8-6-11(17)7-9-12)15(21)19-13-5-3-4-10-18-14(13)20/h6-9,13H,3-5,10H2,1-2H3,(H,18,20)(H,19,21)/t13-/m1/s1