3-(4-cyclopropylcarbonylpiperazin-1-yl)carbonyl-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

Systemtic Name: 3-(4-cyclopropylcarbonylpiperazin-1-yl)carbonyl-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 3-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Formula: C21H21F3N4O3 MolecularWeight: 434.41165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H21F3N4O3/c1-13-11-17(29)18(25-28(13)16-4-2-3-15(12-16)21(22,23)24)20(31)27-9-7-26(8-10-27)19(30)14-5-6-14/h2-4,11-12,14H,5-10H2,1H3