2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide Formula: C20H25BrClNO MolecularWeight: 410.7756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)C

InChI

InChI=1S/C20H25BrClNO/c1-12-3-13(2)18(16(22)4-12)23-17(24)10-19-6-14-5-15(7-19)9-20(21,8-14)11-19/h3-4,14-15H,5-11H2,1-2H3,(H,23,24)/t14-,15+,19?,20?