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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C22H30BrNO/c1-16(7-8-17-5-3-2-4-6-17)24-20(25)14-21-10-18-9-19(11-21)13-22(23,12-18)15-21/h2-6,16,18-19H,7-15H2,1H3,(H,24,25)/t16-,18-,19+,21?,22?/m1/s1