1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone

Systemtic Name: 1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Openeye Name: 1-[4-[6-(2-thienyl)pyridazin-3-yl]piperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone CAS Name: 1-[4-(6-thiophen-2-yl-3-pyridazinyl)-1-piperazinyl]-2-(2,4,6-trimethylphenoxy)ethanone IUPAC Name: 1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Traditional Name: 1-[4-[6-(2-thienyl)pyridazin-3-yl]piperazino]-2-(2,4,6-trimethylphenoxy)ethanone Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4)C

InChI

InChI=1S/C23H26N4O2S/c1-16-13-17(2)23(18(3)14-16)29-15-22(28)27-10-8-26(9-11-27)21-7-6-19(24-25-21)20-5-4-12-30-20/h4-7,12-14H,8-11,15H2,1-3H3