N-[(4-ethynylphenyl)methyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-amine

Systemtic Name: N-[(4-ethynylphenyl)methyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-amine Openeye Name: N-[(4-ethynylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridyl]piperidin-3-amine CAS Name: N-[(4-ethynylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]-3-piperidinamine IUPAC Name: N-[(4-ethynylphenyl)methyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-amine Traditional Name: (4-ethynylbenzyl)-[1-[5-(trifluoromethyl)-2-pyridyl]-3-piperidyl]amine Formula: C20H20F3N3 MolecularWeight: 359.38811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)CNC2CCCN(C2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C#CC1=CC=C(C=C1)CNC2CCCN(C2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3/c1-2-15-5-7-16(8-6-15)12-24-18-4-3-11-26(14-18)19-10-9-17(13-25-19)20(21,22)23/h1,5-10,13,18,24H,3-4,11-12,14H2