[4-(1-adamantylcarbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-[4-(trifluoromethyl)phenyl]methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-[4-(trifluoromethyl)phenyl]methanone Formula: C23H27F3N2O2 MolecularWeight: 420.46789

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27F3N2O2/c24-23(25,26)19-3-1-18(2-4-19)20(29)27-5-7-28(8-6-27)21(30)22-12-15-9-16(13-22)11-17(10-15)14-22/h1-4,15-17H,5-14H2