N-[(4-acetamidophenyl)methyl]-2-(3-bromanyl-1-adamantyl)ethanamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-2-(3-bromanyl-1-adamantyl)ethanamide Openeye Name: N-[(4-acetamidophenyl)methyl]-2-(3-bromo-1-adamantyl)acetamide CAS Name: N-[(4-acetamidophenyl)methyl]-2-(3-bromo-1-adamantyl)acetamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-2-(3-bromo-1-adamantyl)acetamide Traditional Name: N-(4-acetamidobenzyl)-2-(3-bromo-1-adamantyl)acetamide Formula: C21H27BrN2O2 MolecularWeight: 419.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H27BrN2O2/c1-14(25)24-18-4-2-15(3-5-18)12-23-19(26)11-20-7-16-6-17(8-20)10-21(22,9-16)13-20/h2-5,16-17H,6-13H2,1H3,(H,23,26)(H,24,25)