(5S,7R)-3-bromanyl-N-[2-[(2S)-butan-2-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-[2-[(2S)-butan-2-yl]phenyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-[2-[(1S)-1-methylpropyl]phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-[2-[(2S)-butan-2-yl]phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-[2-[(2S)-butan-2-yl]phenyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-[2-[(1S)-1-methylpropyl]phenyl]adamantane-1-carboxamide Formula: C21H28BrNO MolecularWeight: 390.35712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H28BrNO/c1-3-14(2)17-6-4-5-7-18(17)23-19(24)20-9-15-8-16(10-20)12-21(22,11-15)13-20/h4-7,14-16H,3,8-13H2,1-2H3,(H,23,24)/t14-,15-,16+,20?,21?/m0/s1