1-(azepan-1-yl)-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazino]ethanone Formula: C20H26F3N3O2 MolecularWeight: 397.43455

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H26F3N3O2/c21-20(22,23)17-8-4-3-7-16(17)19(28)26-13-11-24(12-14-26)15-18(27)25-9-5-1-2-6-10-25/h3-4,7-8H,1-2,5-6,9-15H2