2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[4-[(2S)-butan-2-yl]phenyl]ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[4-[(2S)-butan-2-yl]phenyl]ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[4-[(2S)-butan-2-yl]phenyl]acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[4-[(2S)-butan-2-yl]phenyl]acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C22H30BrNO MolecularWeight: 404.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C22H30BrNO/c1-3-15(2)18-4-6-19(7-5-18)24-20(25)13-21-9-16-8-17(10-21)12-22(23,11-16)14-21/h4-7,15-17H,3,8-14H2,1-2H3,(H,24,25)/t15-,16-,17+,21?,22?/m0/s1