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

Systemtic Name: 2-[2-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[4-[6-(4-ethoxyphenyl)-3-pyridazinyl]-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-keto-2-[4-(6-p-phenetylpyridazin-3-yl)piperazino]ethoxy]benzonitrile Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)COC4=CC=CC=C4C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)COC4=CC=CC=C4C#N

InChI

InChI=1S/C25H25N5O3/c1-2-32-21-9-7-19(8-10-21)22-11-12-24(28-27-22)29-13-15-30(16-14-29)25(31)18-33-23-6-4-3-5-20(23)17-26/h3-12H,2,13-16,18H2,1H3