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

Systemtic Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-(4-piperonylpiperazino)propoxy]benzonitrile Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C22H25N3O4/c23-12-17-1-4-20(5-2-17)27-15-19(26)14-25-9-7-24(8-10-25)13-18-3-6-21-22(11-18)29-16-28-21/h1-6,11,19,26H,7-10,13-16H2