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

Systemtic Name: 6-methyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 6-methyl-3-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 6-methyl-3-[oxo-[4-(2-phenoxyethyl)-1-piperazinyl]methyl]-1-[3-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 6-methyl-3-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 6-methyl-3-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Formula: C25H25F3N4O3 MolecularWeight: 486.48621

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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)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H25F3N4O3/c1-18-16-22(33)23(29-32(18)20-7-5-6-19(17-20)25(26,27)28)24(34)31-12-10-30(11-13-31)14-15-35-21-8-3-2-4-9-21/h2-9,16-17H,10-15H2,1H3