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

Systemtic Name: N-ethyl-9-[3-[2-[(3-methylphenyl)methyl]-3-oxidanylidene-1-piperazin-1-yl-isoindol-1-yl]propyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[3-[2-(m-tolylmethyl)-3-oxo-1-piperazin-1-yl-isoindolin-1-yl]propyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[2-[(3-methylphenyl)methyl]-3-oxo-1-(1-piperazinyl)-1-isoindolyl]propyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[3-[2-[(3-methylphenyl)methyl]-3-oxo-1-piperazin-1-ylisoindol-1-yl]propyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[3-[3-keto-2-(3-methylbenzyl)-1-piperazino-isoindolin-1-yl]propyl]xanthene-9-carboxamide Formula: C39H42N4O3 MolecularWeight: 614.77578

Click to see the large picture

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)C)N7CCNCC7

Isomeric SMILES

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

InChI

InChI=1S/C39H42N4O3/c1-3-41-37(45)38(32-16-6-8-18-34(32)46-35-19-9-7-17-33(35)38)20-11-21-39(42-24-22-40-23-25-42)31-15-5-4-14-30(31)36(44)43(39)27-29-13-10-12-28(2)26-29/h4-10,12-19,26,40H,3,11,20-25,27H2,1-2H3,(H,41,45)