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

Systemtic Name: 6-methyl-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 6-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-[3-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Formula: C24H23F3N4O2 MolecularWeight: 456.46023

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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=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H23F3N4O2/c1-17-14-21(32)22(28-31(17)20-9-5-8-19(15-20)24(25,26)27)23(33)30-12-10-29(11-13-30)16-18-6-3-2-4-7-18/h2-9,14-15H,10-13,16H2,1H3