3-(1-adamantylcarbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propionamide Formula: C23H30F3N3O2 MolecularWeight: 437.49841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NCCC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NCCC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H30F3N3O2/c24-23(25,26)19-3-1-15(2-4-19)5-7-27-20(30)6-8-28-21(31)29-22-12-16-9-17(13-22)11-18(10-16)14-22/h1-4,16-18H,5-14H2,(H,27,30)(H2,28,29,31)