4-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[4-(coumaran-5-ylmethyl)piperazino]-2-hydroxy-propoxy]benzonitrile Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CC(COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C23H27N3O3/c24-14-18-1-4-22(5-2-18)29-17-21(27)16-26-10-8-25(9-11-26)15-19-3-6-23-20(13-19)7-12-28-23/h1-6,13,21,27H,7-12,15-17H2