(5S,7R)-3-bromanyl-N-(4-tert-butylphenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(4-tert-butylphenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(4-tert-butylphenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-(4-tert-butylphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(4-tert-butylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(4-tert-butylphenyl)adamantane-1-carboxamide Formula: C21H28BrNO MolecularWeight: 390.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrNO/c1-19(2,3)16-4-6-17(7-5-16)23-18(24)20-9-14-8-15(10-20)12-21(22,11-14)13-20/h4-7,14-15H,8-13H2,1-3H3,(H,23,24)/t14-,15+,20?,21?