N-[4-oxidanylidene-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]adamantane-1-carboxamide Openeye Name: N-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]adamantane-1-carboxamide CAS Name: N-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]butyl]-1-adamantanecarboxamide IUPAC Name: N-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]adamantane-1-carboxamide Formula: C26H34F3N3O2 MolecularWeight: 477.56227

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34F3N3O2/c27-26(28,29)21-3-1-4-22(14-21)31-7-9-32(10-8-31)23(33)5-2-6-30-24(34)25-15-18-11-19(16-25)13-20(12-18)17-25/h1,3-4,14,18-20H,2,5-13,15-17H2,(H,30,34)