5-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-isoindole

Systemtic Name: 5-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-isoindole Openeye Name: 5-[4-(4-isochroman-8-ylpiperazin-1-yl)butyl]isoindoline CAS Name: 5-[4-[4-(3,4-dihydro-1H-2-benzopyran-8-yl)-1-piperazinyl]butyl]-2,3-dihydro-1H-isoindole IUPAC Name: 5-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-isoindole Traditional Name: 5-[4-(4-isochroman-8-ylpiperazino)butyl]isoindoline Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC2=C1C=CC=C2N3CCN(CC3)CCCCC4=CC5=C(CNC5)C=C4

Isomeric SMILES

C1COCC2=C1C=CC=C2N3CCN(CC3)CCCCC4=CC5=C(CNC5)C=C4

InChI

InChI=1S/C25H33N3O/c1(4-20-7-8-22-17-26-18-23(22)16-20)2-10-27-11-13-28(14-12-27)25-6-3-5-21-9-15-29-19-24(21)25/h3,5-8,16,26H,1-2,4,9-15,17-19H2