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

Systemtic Name: N-ethyl-9-[3-[2-[(3-fluorophenyl)methyl]-3-oxidanylidene-1-piperazin-1-yl-isoindol-1-yl]propyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[3-[2-[(3-fluorophenyl)methyl]-3-oxo-1-piperazin-1-yl-isoindolin-1-yl]propyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[2-[(3-fluorophenyl)methyl]-3-oxo-1-(1-piperazinyl)-1-isoindolyl]propyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[3-[2-[(3-fluorophenyl)methyl]-3-oxo-1-piperazin-1-ylisoindol-1-yl]propyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[3-[2-(3-fluorobenzyl)-3-keto-1-piperazino-isoindolin-1-yl]propyl]xanthene-9-carboxamide Formula: C38H39FN4O3 MolecularWeight: 618.739663

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCC4(C5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)F)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCC4(C5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)F)N7CCNCC7

InChI

InChI=1S/C38H39FN4O3/c1-2-41-36(45)37(31-15-5-7-17-33(31)46-34-18-8-6-16-32(34)37)19-10-20-38(42-23-21-40-22-24-42)30-14-4-3-13-29(30)35(44)43(38)26-27-11-9-12-28(39)25-27/h3-9,11-18,25,40H,2,10,19-24,26H2,1H3,(H,41,45)