6-methyl-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]carbonyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

Systemtic Name: 6-methyl-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]carbonyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 6-methyl-3-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 6-methyl-3-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]-1-[3-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 6-methyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 3-[4-(2-keto-2-piperidino-ethyl)piperazine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Formula: C24H28F3N5O3 MolecularWeight: 491.50603

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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)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C24H28F3N5O3/c1-17-14-20(33)22(28-32(17)19-7-5-6-18(15-19)24(25,26)27)23(35)31-12-10-29(11-13-31)16-21(34)30-8-3-2-4-9-30/h5-7,14-15H,2-4,8-13,16H2,1H3