4-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-2-hydroxy-propoxy]benzonitrile Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)CC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)CC(COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C23H27N3O4/c24-14-18-1-4-21(5-2-18)30-17-20(27)16-26-9-7-25(8-10-26)15-19-3-6-22-23(13-19)29-12-11-28-22/h1-6,13,20,27H,7-12,15-17H2