N-[2-[3-(1-adamantylcarbamoylamino)propanoylamino]ethyl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[2-[3-(1-adamantylcarbamoylamino)propanoylamino]ethyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[2-[3-(1-adamantylcarbamoylamino)propanoylamino]ethyl]-4-(trifluoromethyl)benzamide CAS Name: N-[2-[[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropyl]amino]ethyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-[3-(1-adamantylcarbamoylamino)propanoylamino]ethyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[2-[3-(1-adamantylcarbamoylamino)propanoylamino]ethyl]-4-(trifluoromethyl)benzamide Formula: C24H31F3N4O3 MolecularWeight: 480.52315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31F3N4O3/c25-24(26,27)19-3-1-18(2-4-19)21(33)29-8-7-28-20(32)5-6-30-22(34)31-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-4,15-17H,5-14H2,(H,28,32)(H,29,33)(H2,30,31,34)