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

Systemtic Name: N-ethyl-9-[4-[2-[(3-fluorophenyl)methyl]-1-oxidanylidene-3-piperazin-1-yl-4H-isoquinolin-3-yl]butyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[4-[2-[(3-fluorophenyl)methyl]-1-oxo-3-piperazin-1-yl-4H-isoquinolin-3-yl]butyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[2-[(3-fluorophenyl)methyl]-1-oxo-3-(1-piperazinyl)-4H-isoquinolin-3-yl]butyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[4-[2-[(3-fluorophenyl)methyl]-1-oxo-3-piperazin-1-yl-4H-isoquinolin-3-yl]butyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[4-[2-(3-fluorobenzyl)-1-keto-3-piperazino-4H-isoquinolin-3-yl]butyl]xanthene-9-carboxamide Formula: C40H43FN4O3 MolecularWeight: 646.792823

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCC4(CC5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)F)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCC4(CC5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)F)N7CCNCC7

InChI

InChI=1S/C40H43FN4O3/c1-2-43-38(47)40(33-16-5-7-18-35(33)48-36-19-8-6-17-34(36)40)21-10-9-20-39(44-24-22-42-23-25-44)27-30-13-3-4-15-32(30)37(46)45(39)28-29-12-11-14-31(41)26-29/h3-8,11-19,26,42H,2,9-10,20-25,27-28H2,1H3,(H,43,47)