N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridyl]piperidin-4-amine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]amine Formula: C21H24F3N3O2 MolecularWeight: 407.42937

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)CNC3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)CNC3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O2/c22-21(23,24)16-5-6-19(26-14-16)27-9-7-17(8-10-27)25-13-15-3-1-4-18-20(15)29-12-2-11-28-18/h1,3-6,14,17,25H,2,7-13H2