N-ethyl-9-[3-[4-[3-oxidanylidene-2-(1-phenylethyl)-1H-isoindol-5-yl]piperazin-1-yl]propyl]xanthene-9-carboxamide

Systemtic Name: N-ethyl-9-[3-[4-[3-oxidanylidene-2-(1-phenylethyl)-1H-isoindol-5-yl]piperazin-1-yl]propyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[3-[4-[3-oxo-2-(1-phenylethyl)isoindolin-5-yl]piperazin-1-yl]propyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[4-[3-oxo-2-(1-phenylethyl)-1H-isoindol-5-yl]-1-piperazinyl]propyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[3-[4-[3-oxo-2-(1-phenylethyl)-1H-isoindol-5-yl]piperazin-1-yl]propyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[3-[4-[3-keto-2-(1-phenylethyl)isoindolin-5-yl]piperazino]propyl]xanthene-9-carboxamide Formula: C39H42N4O3 MolecularWeight: 614.77578

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCN4CCN(CC4)C5=CC6=C(CN(C6=O)C(C)C7=CC=CC=C7)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCN4CCN(CC4)C5=CC6=C(CN(C6=O)C(C)C7=CC=CC=C7)C=C5

InChI

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