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

Systemtic Name: N-ethyl-9-[4-[2-(oxan-2-ylmethyl)-3-oxidanylidene-1-piperazin-1-yl-isoindol-1-yl]butyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[4-[3-oxo-1-piperazin-1-yl-2-(tetrahydropyran-2-ylmethyl)isoindolin-1-yl]butyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[2-(2-oxanylmethyl)-3-oxo-1-(1-piperazinyl)-1-isoindolyl]butyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[4-[2-(oxan-2-ylmethyl)-3-oxo-1-piperazin-1-ylisoindol-1-yl]butyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[4-[3-keto-1-piperazino-2-(tetrahydropyran-2-ylmethyl)isoindolin-1-yl]butyl]xanthene-9-carboxamide Formula: C38H46N4O4 MolecularWeight: 622.79624

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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)N4CC6CCCCO6)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCC4(C5=CC=CC=C5C(=O)N4CC6CCCCO6)N7CCNCC7

InChI

InChI=1S/C38H46N4O4/c1-2-40-36(44)37(31-16-5-7-18-33(31)46-34-19-8-6-17-32(34)37)20-10-11-21-38(41-24-22-39-23-25-41)30-15-4-3-14-29(30)35(43)42(38)27-28-13-9-12-26-45-28/h3-8,14-19,28,39H,2,9-13,20-27H2,1H3,(H,40,44)