[2-(oxan-4-ylmethylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: [2-(oxan-4-ylmethylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: [2-(tetrahydropyran-4-ylmethylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: [2-(4-oxanylmethylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: [2-(oxan-4-ylmethylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: [2-(tetrahydropyran-4-ylmethylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C26H36F3N3O2 MolecularWeight: 479.57815

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC2(C1)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)NCC5CCOCC5

Isomeric SMILES

C1CC2CC(CC2(C1)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)NCC5CCOCC5

InChI

InChI=1S/C26H36F3N3O2/c27-26(28,29)21-3-1-5-23(16-21)31-9-11-32(12-10-31)24(33)25-8-2-4-20(25)15-22(17-25)30-18-19-6-13-34-14-7-19/h1,3,5,16,19-20,22,30H,2,4,6-15,17-18H2