N-(3-fluoranyl-4-methyl-phenyl)-4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-[6-(2-thienyl)pyridazin-3-yl]piperazine-1-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-(6-thiophen-2-yl-3-pyridazinyl)-1-piperazinecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-[6-(2-thienyl)pyridazin-3-yl]piperazine-1-carboxamide Formula: C20H20FN5OS MolecularWeight: 397.469103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN5OS/c1-14-4-5-15(13-16(14)21)22-20(27)26-10-8-25(9-11-26)19-7-6-17(23-24-19)18-3-2-12-28-18/h2-7,12-13H,8-11H2,1H3,(H,22,27)