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

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(4-methylphenyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(5S,7R)-3-bromo-1-adamantyl]-N-(p-tolyl)acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(4-methylphenyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(5S,7R)-3-bromo-1-adamantyl]-N-(4-methylphenyl)acetamide Traditional Name: N-benzyl-2-[(5S,7R)-3-bromo-1-adamantyl]-N-(p-tolyl)acetamide Formula: C26H30BrNO MolecularWeight: 452.4265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C26H30BrNO/c1-19-7-9-23(10-8-19)28(17-20-5-3-2-4-6-20)24(29)16-25-12-21-11-22(13-25)15-26(27,14-21)18-25/h2-10,21-22H,11-18H2,1H3/t21-,22+,25?,26?