4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile hydrochloride Openeye Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile hydrochloride CAS Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile hydrochloride IUPAC Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile hydrochloride Traditional Name: 4-[2-keto-2-(4-piperonylpiperazino)ethoxy]benzonitrile hydrochloride Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4.ClH/c22-12-16-1-4-18(5-2-16)26-14-21(25)24-9-7-23(8-10-24)13-17-3-6-19-20(11-17)28-15-27-19;/h1-6,11H,7-10,13-15H2;1H