N-[(3-bromophenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[(3-bromophenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-phenoxy-ethanamide Openeye Name: N-[(3-bromophenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-2-phenoxy-acetamide CAS Name: N-[(3-bromophenyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-2-phenoxyacetamide IUPAC Name: N-[(3-bromophenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-2-phenoxyacetamide Traditional Name: N-(3-bromobenzyl)-N-[(3S)-2-ketoazepan-3-yl]-2-phenoxy-acetamide Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC(=CC=C2)Br)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC(=CC=C2)Br)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN2O3/c22-17-8-6-7-16(13-17)14-24(19-11-4-5-12-23-21(19)26)20(25)15-27-18-9-2-1-3-10-18/h1-3,6-10,13,19H,4-5,11-12,14-15H2,(H,23,26)/t19-/m0/s1