(5S,7R)-3-bromanyl-N-(2-methylphenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(2-methylphenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(o-tolyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-(2-methylphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(2-methylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(o-tolyl)adamantane-1-carboxamide Formula: C18H22BrNO MolecularWeight: 348.27738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C18H22BrNO/c1-12-4-2-3-5-15(12)20-16(21)17-7-13-6-14(8-17)10-18(19,9-13)11-17/h2-5,13-14H,6-11H2,1H3,(H,20,21)/t13-,14+,17?,18?