N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-amine

Systemtic Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-amine Openeye Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridyl]piperidin-3-amine CAS Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]-3-piperidinamine IUPAC Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-amine Traditional Name: benzofurazan-4-ylmethyl-[1-[5-(trifluoromethyl)-2-pyridyl]-3-piperidyl]amine Formula: C18H18F3N5O MolecularWeight: 377.36363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C=C2)C(F)(F)F)NCC3=CC=CC4=NON=C43

Isomeric SMILES

C1CC(CN(C1)C2=NC=C(C=C2)C(F)(F)F)NCC3=CC=CC4=NON=C43

InChI

InChI=1S/C18H18F3N5O/c19-18(20,21)13-6-7-16(23-10-13)26-8-2-4-14(11-26)22-9-12-3-1-5-15-17(12)25-27-24-15/h1,3,5-7,10,14,22H,2,4,8-9,11H2