(3R,4S,5S,6R)-3-[(4-bromophenyl)methyl]-5,6-dimethyl-4-phenyl-azepan-2-one

Systemtic Name: (3R,4S,5S,6R)-3-[(4-bromophenyl)methyl]-5,6-dimethyl-4-phenyl-azepan-2-one Openeye Name: (3R,4S,5S,6R)-3-[(4-bromophenyl)methyl]-5,6-dimethyl-4-phenyl-azepan-2-one CAS Name: (3R,4S,5S,6R)-3-[(4-bromophenyl)methyl]-5,6-dimethyl-4-phenyl-2-azepanone IUPAC Name: (3R,4S,5S,6R)-3-[(4-bromophenyl)methyl]-5,6-dimethyl-4-phenylazepan-2-one Traditional Name: (3R,4S,5S,6R)-3-(4-bromobenzyl)-5,6-dimethyl-4-phenyl-azepan-2-one Formula: C21H24BrNO MolecularWeight: 386.32536

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=O)C(C(C1C)C2=CC=CC=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@H]1CNC(=O)[C@@H]([C@H]([C@@H]1C)C2=CC=CC=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H24BrNO/c1-14-13-23-21(24)19(12-16-8-10-18(22)11-9-16)20(15(14)2)17-6-4-3-5-7-17/h3-11,14-15,19-20H,12-13H2,1-2H3,(H,23,24)/t14-,15+,19+,20+/m0/s1