N-[3-[2-(3-bromanyl-1-adamantyl)ethanoylamino]phenyl]propanamide

Systemtic Name: N-[3-[2-(3-bromanyl-1-adamantyl)ethanoylamino]phenyl]propanamide Openeye Name: N-[3-[[2-(3-bromo-1-adamantyl)acetyl]amino]phenyl]propanamide CAS Name: N-[3-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]phenyl]propanamide IUPAC Name: N-[3-[[2-(3-bromo-1-adamantyl)acetyl]amino]phenyl]propanamide Traditional Name: N-[3-[[2-(3-bromo-1-adamantyl)acetyl]amino]phenyl]propionamide Formula: C21H27BrN2O2 MolecularWeight: 419.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

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