2-(4-chloranyl-3-methyl-phenoxy)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-1-[4-[6-(2-thienyl)pyridazin-3-yl]piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-3-methylphenoxy)-1-[4-(6-thiophen-2-yl-3-pyridazinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-3-methylphenoxy)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-1-[4-[6-(2-thienyl)pyridazin-3-yl]piperazino]ethanone Formula: C21H21ClN4O2S MolecularWeight: 428.93504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O2S/c1-15-13-16(4-5-17(15)22)28-14-21(27)26-10-8-25(9-11-26)20-7-6-18(23-24-20)19-3-2-12-29-19/h2-7,12-13H,8-11,14H2,1H3