(3,4-dimethoxyphenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[6-(2-thienyl)pyridazin-3-yl]piperazin-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-(6-thiophen-2-yl-3-pyridazinyl)-1-piperazinyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-[6-(2-thienyl)pyridazin-3-yl]piperazino]methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4)OC

InChI

InChI=1S/C21H22N4O3S/c1-27-17-7-5-15(14-18(17)28-2)21(26)25-11-9-24(10-12-25)20-8-6-16(22-23-20)19-4-3-13-29-19/h3-8,13-14H,9-12H2,1-2H3