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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCC4(C5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)F)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCC4(C5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)F)N7CCNCC7

InChI

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