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

Systemtic Name: N-ethyl-9-[3-[2-[(3-fluorophenyl)methyl]-1-oxidanylidene-3-piperazin-1-yl-4H-isoquinolin-3-yl]propyl]fluorene-9-carboxamide Openeye Name: N-ethyl-9-[3-[2-[(3-fluorophenyl)methyl]-1-oxo-3-piperazin-1-yl-4H-isoquinolin-3-yl]propyl]fluorene-9-carboxamide CAS Name: N-ethyl-9-[3-[2-[(3-fluorophenyl)methyl]-1-oxo-3-(1-piperazinyl)-4H-isoquinolin-3-yl]propyl]-9-fluorenecarboxamide IUPAC Name: N-ethyl-9-[3-[2-[(3-fluorophenyl)methyl]-1-oxo-3-piperazin-1-yl-4H-isoquinolin-3-yl]propyl]fluorene-9-carboxamide Traditional Name: N-ethyl-9-[3-[2-(3-fluorobenzyl)-1-keto-3-piperazino-4H-isoquinolin-3-yl]propyl]fluorene-9-carboxamide Formula: C39H41FN4O2 MolecularWeight: 616.766843

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)CCCC4(CC5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)F)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)CCCC4(CC5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)F)N7CCNCC7

InChI

InChI=1S/C39H41FN4O2/c1-2-42-37(46)39(34-17-7-5-15-32(34)33-16-6-8-18-35(33)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)