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

Systemtic Name: N-ethyl-9-[4-[1-[3-oxidanylidene-2-(1-phenylethyl)-1H-isoindol-1-yl]piperazin-2-yl]butyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[4-[1-[3-oxo-2-(1-phenylethyl)isoindolin-1-yl]piperazin-2-yl]butyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[1-[3-oxo-2-(1-phenylethyl)-1H-isoindol-1-yl]-2-piperazinyl]butyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[4-[1-[3-oxo-2-(1-phenylethyl)-1H-isoindol-1-yl]piperazin-2-yl]butyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[4-[1-[3-keto-2-(1-phenylethyl)isoindolin-1-yl]piperazin-2-yl]butyl]xanthene-9-carboxamide Formula: C40H44N4O3 MolecularWeight: 628.80236

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCC4CNCCN4C5C6=CC=CC=C6C(=O)N5C(C)C7=CC=CC=C7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCC4CNCCN4C5C6=CC=CC=C6C(=O)N5C(C)C7=CC=CC=C7

InChI

InChI=1S/C40H44N4O3/c1-3-42-39(46)40(33-20-9-11-22-35(33)47-36-23-12-10-21-34(36)40)24-14-13-17-30-27-41-25-26-43(30)37-31-18-7-8-19-32(31)38(45)44(37)28(2)29-15-5-4-6-16-29/h4-12,15-16,18-23,28,30,37,41H,3,13-14,17,24-27H2,1-2H3,(H,42,46)