2-[3-bromanyl-5-(2-methylphenyl)-2-oxidanylidene-7-phenyl-azepan-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[3-bromanyl-5-(2-methylphenyl)-2-oxidanylidene-7-phenyl-azepan-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[3-bromo-5-(o-tolyl)-2-oxo-7-phenyl-azepan-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[3-bromo-5-(2-methylphenyl)-2-oxo-7-phenyl-1-azepanyl]-N-tert-butylacetamide IUPAC Name: 2-[3-bromo-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide Traditional Name: 2-[3-bromo-2-keto-5-(o-tolyl)-7-phenyl-azepan-1-yl]-N-tert-butyl-acetamide Formula: C25H31BrN2O2 MolecularWeight: 471.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(N(C(=O)C(C2)Br)CC(=O)NC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2CC(N(C(=O)C(C2)Br)CC(=O)NC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C25H31BrN2O2/c1-17-10-8-9-13-20(17)19-14-21(26)24(30)28(16-23(29)27-25(2,3)4)22(15-19)18-11-6-5-7-12-18/h5-13,19,21-22H,14-16H2,1-4H3,(H,27,29)