(5S,7R)-3-bromanyl-N-(3-ethanoylphenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(3-ethanoylphenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(3-acetylphenyl)-3-bromo-adamantane-1-carboxamide CAS Name: (5S,7R)-N-(3-acetylphenyl)-3-bromo-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(3-acetylphenyl)-3-bromoadamantane-1-carboxamide Traditional Name: (5S,7R)-N-(3-acetylphenyl)-3-bromo-adamantane-1-carboxamide Formula: C19H22BrNO2 MolecularWeight: 376.28748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO2/c1-12(22)15-3-2-4-16(6-15)21-17(23)18-7-13-5-14(8-18)10-19(20,9-13)11-18/h2-4,6,13-14H,5,7-11H2,1H3,(H,21,23)/t13-,14+,18?,19?