2-[2-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazino]-2-keto-ethoxy]benzonitrile Formula: C24H21N5O4 MolecularWeight: 443.45464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)COC5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)COC5=CC=CC=C5C#N

InChI

InChI=1S/C24H21N5O4/c25-14-18-3-1-2-4-20(18)31-15-24(30)29-11-9-28(10-12-29)23-8-6-19(26-27-23)17-5-7-21-22(13-17)33-16-32-21/h1-8,13H,9-12,15-16H2