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

Systemtic Name: N-ethyl-9-[3-[1-[3-oxidanylidene-2-(1-phenylethyl)-1H-isoindol-1-yl]piperazin-2-yl]propyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[3-[1-[3-oxo-2-(1-phenylethyl)isoindolin-1-yl]piperazin-2-yl]propyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[1-[3-oxo-2-(1-phenylethyl)-1H-isoindol-1-yl]-2-piperazinyl]propyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[3-[1-[3-oxo-2-(1-phenylethyl)-1H-isoindol-1-yl]piperazin-2-yl]propyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[3-[1-[3-keto-2-(1-phenylethyl)isoindolin-1-yl]piperazin-2-yl]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)CCCC4CNCCN4C5C6=CC=CC=C6C(=O)N5C(C)C7=CC=CC=C7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCC4CNCCN4C5C6=CC=CC=C6C(=O)N5C(C)C7=CC=CC=C7

InChI

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