N-ethyl-9-[3-[2-[(3-fluorophenyl)methyl]-1-oxidanylidene-3-piperazin-1-yl-4H-isoquinolin-3-yl]propyl]xanthene-9-carboxamide

Systemtic Name: N-ethyl-9-[3-[2-[(3-fluorophenyl)methyl]-1-oxidanylidene-3-piperazin-1-yl-4H-isoquinolin-3-yl]propyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[3-[2-[(3-fluorophenyl)methyl]-1-oxo-3-piperazin-1-yl-4H-isoquinolin-3-yl]propyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[2-[(3-fluorophenyl)methyl]-1-oxo-3-(1-piperazinyl)-4H-isoquinolin-3-yl]propyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[3-[2-[(3-fluorophenyl)methyl]-1-oxo-3-piperazin-1-yl-4H-isoquinolin-3-yl]propyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[3-[2-(3-fluorobenzyl)-1-keto-3-piperazino-4H-isoquinolin-3-yl]propyl]xanthene-9-carboxamide Formula: C39H41FN4O3 MolecularWeight: 632.766243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCC4(CC5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)F)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCC4(CC5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)F)N7CCNCC7

InChI

InChI=1S/C39H41FN4O3/c1-2-42-37(46)39(32-15-5-7-17-34(32)47-35-18-8-6-16-33(35)39)20-10-19-38(43-23-21-41-22-24-43)26-29-12-3-4-14-31(29)36(45)44(38)27-28-11-9-13-30(40)25-28/h3-9,11-18,25,41H,2,10,19-24,26-27H2,1H3,(H,42,46)