6-methyl-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

Systemtic Name: 6-methyl-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 6-methyl-3-[4-(2-thienylmethyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 6-methyl-3-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-1-[3-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 6-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 6-methyl-3-[4-(2-thenyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Formula: C22H21F3N4O2S MolecularWeight: 462.48795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C22H21F3N4O2S/c1-15-12-19(30)20(26-29(15)17-5-2-4-16(13-17)22(23,24)25)21(31)28-9-7-27(8-10-28)14-18-6-3-11-32-18/h2-6,11-13H,7-10,14H2,1H3