9-[4-[4-(3-oxidanylidene-1H-isoindol-2-yl)piperidin-1-yl]butyl]-N-propyl-xanthene-9-carboxamide

Systemtic Name: 9-[4-[4-(3-oxidanylidene-1H-isoindol-2-yl)piperidin-1-yl]butyl]-N-propyl-xanthene-9-carboxamide Openeye Name: 9-[4-[4-(1-oxoisoindolin-2-yl)-1-piperidyl]butyl]-N-propyl-xanthene-9-carboxamide CAS Name: 9-[4-[4-(3-oxo-1H-isoindol-2-yl)-1-piperidinyl]butyl]-N-propyl-9-xanthenecarboxamide IUPAC Name: 9-[4-[4-(3-oxo-1H-isoindol-2-yl)piperidin-1-yl]butyl]-N-propylxanthene-9-carboxamide Traditional Name: 9-[4-[4-(1-ketoisoindolin-2-yl)piperidino]butyl]-N-propyl-xanthene-9-carboxamide Formula: C34H39N3O3 MolecularWeight: 537.69176

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCN4CCC(CC4)N5CC6=CC=CC=C6C5=O

Isomeric SMILES

CCCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCN4CCC(CC4)N5CC6=CC=CC=C6C5=O

InChI

InChI=1S/C34H39N3O3/c1-2-20-35-33(39)34(28-13-5-7-15-30(28)40-31-16-8-6-14-29(31)34)19-9-10-21-36-22-17-26(18-23-36)37-24-25-11-3-4-12-27(25)32(37)38/h3-8,11-16,26H,2,9-10,17-24H2,1H3,(H,35,39)