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

Systemtic Name: N-ethyl-9-[4-[2-[(3-methylphenyl)methyl]-3-oxidanylidene-1-piperazin-1-yl-isoindol-1-yl]butyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[4-[2-(m-tolylmethyl)-3-oxo-1-piperazin-1-yl-isoindolin-1-yl]butyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[2-[(3-methylphenyl)methyl]-3-oxo-1-(1-piperazinyl)-1-isoindolyl]butyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[4-[2-[(3-methylphenyl)methyl]-3-oxo-1-piperazin-1-ylisoindol-1-yl]butyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[4-[3-keto-2-(3-methylbenzyl)-1-piperazino-isoindolin-1-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)CCCCC4(C5=CC=CC=C5C(=O)N4CC6=CC=CC(=C6)C)N7CCNCC7

Isomeric SMILES

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

InChI

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