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

Systemtic Name: 2-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[4-[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazino]-2-keto-ethoxy]benzonitrile Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)COC4=CC=CC=C4C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)COC4=CC=CC=C4C#N)OC

InChI

InChI=1S/C25H25N5O4/c1-32-22-9-7-18(15-23(22)33-2)20-8-10-24(28-27-20)29-11-13-30(14-12-29)25(31)17-34-21-6-4-3-5-19(21)16-26/h3-10,15H,11-14,17H2,1-2H3