(5S,7R)-3-bromanyl-N-(3-chloranyl-2,6-diethyl-phenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(3-chloranyl-2,6-diethyl-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(3-chloro-2,6-diethyl-phenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-(3-chloro-2,6-diethylphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(3-chloro-2,6-diethylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(3-chloro-2,6-diethyl-phenyl)adamantane-1-carboxamide Formula: C21H27BrClNO MolecularWeight: 424.80218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H27BrClNO/c1-3-15-5-6-17(23)16(4-2)18(15)24-19(25)20-8-13-7-14(9-20)11-21(22,10-13)12-20/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,24,25)/t13-,14+,20?,21?