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

Systemtic Name: N-ethyl-9-[3-[2-(oxan-2-ylmethyl)-3-oxidanylidene-1-piperazin-1-yl-isoindol-1-yl]propyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[3-[3-oxo-1-piperazin-1-yl-2-(tetrahydropyran-2-ylmethyl)isoindolin-1-yl]propyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[2-(2-oxanylmethyl)-3-oxo-1-(1-piperazinyl)-1-isoindolyl]propyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[3-[2-(oxan-2-ylmethyl)-3-oxo-1-piperazin-1-ylisoindol-1-yl]propyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[3-[3-keto-1-piperazino-2-(tetrahydropyran-2-ylmethyl)isoindolin-1-yl]propyl]xanthene-9-carboxamide Formula: C37H44N4O4 MolecularWeight: 608.76966

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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)N4CC6CCCCO6)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCC4(C5=CC=CC=C5C(=O)N4CC6CCCCO6)N7CCNCC7

InChI

InChI=1S/C37H44N4O4/c1-2-39-35(43)36(30-15-5-7-17-32(30)45-33-18-8-6-16-31(33)36)19-11-20-37(40-23-21-38-22-24-40)29-14-4-3-13-28(29)34(42)41(37)26-27-12-9-10-25-44-27/h3-8,13-18,27,38H,2,9-12,19-26H2,1H3,(H,39,43)