4-fluoranyl-3-(isoquinolin-4-ylmethoxy)-N-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-fluoranyl-3-(isoquinolin-4-ylmethoxy)-N-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-fluoro-3-(4-isoquinolylmethoxy)-N-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-fluoro-3-(4-isoquinolinylmethoxy)-N-[4-(1-piperazinyl)-3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-fluoro-3-(isoquinolin-4-ylmethoxy)-N-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-fluoro-3-(4-isoquinolylmethoxy)-N-[4-piperazino-3-(trifluoromethyl)phenyl]benzamide Formula: C28H24F4N4O2 MolecularWeight: 524.509373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)F)OCC4=CN=CC5=CC=CC=C54)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)F)OCC4=CN=CC5=CC=CC=C54)C(F)(F)F

InChI

InChI=1S/C28H24F4N4O2/c29-24-7-5-18(13-26(24)38-17-20-16-34-15-19-3-1-2-4-22(19)20)27(37)35-21-6-8-25(23(14-21)28(30,31)32)36-11-9-33-10-12-36/h1-8,13-16,33H,9-12,17H2,(H,35,37)