3-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-N,4-dimethyl-benzamide

Systemtic Name: 3-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-N,4-dimethyl-benzamide Openeye Name: 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]-N,4-dimethyl-benzamide CAS Name: 3-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]-N,4-dimethylbenzamide IUPAC Name: 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]-N,4-dimethylbenzamide Traditional Name: 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]-N,4-dimethyl-benzamide Formula: C21H27BrN2O2 MolecularWeight: 419.35528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H27BrN2O2/c1-13-3-4-16(19(26)23-2)6-17(13)24-18(25)11-20-7-14-5-15(8-20)10-21(22,9-14)12-20/h3-4,6,14-15H,5,7-12H2,1-2H3,(H,23,26)(H,24,25)