N-[3-[4-[5-(trifluoromethyloxy)-1H-indol-3-yl]piperidin-1-yl]propyl]isoquinoline-1-carboxamide

Systemtic Name: N-[3-[4-[5-(trifluoromethyloxy)-1H-indol-3-yl]piperidin-1-yl]propyl]isoquinoline-1-carboxamide Openeye Name: N-[3-[4-[5-(trifluoromethoxy)-1H-indol-3-yl]-1-piperidyl]propyl]isoquinoline-1-carboxamide CAS Name: N-[3-[4-[5-(trifluoromethoxy)-1H-indol-3-yl]-1-piperidinyl]propyl]-1-isoquinolinecarboxamide IUPAC Name: N-[3-[4-[5-(trifluoromethoxy)-1H-indol-3-yl]piperidin-1-yl]propyl]isoquinoline-1-carboxamide Traditional Name: N-[3-[4-[5-(trifluoromethoxy)-1H-indol-3-yl]piperidino]propyl]isoquinoline-1-carboxamide Formula: C27H27F3N4O2 MolecularWeight: 496.52409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CNC3=C2C=C(C=C3)OC(F)(F)F)CCCNC(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C2=CNC3=C2C=C(C=C3)OC(F)(F)F)CCCNC(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C27H27F3N4O2/c28-27(29,30)36-20-6-7-24-22(16-20)23(17-33-24)19-9-14-34(15-10-19)13-3-11-32-26(35)25-21-5-2-1-4-18(21)8-12-31-25/h1-2,4-8,12,16-17,19,33H,3,9-11,13-15H2,(H,32,35)