3-(azepan-1-ylcarbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 3-(azepane-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 3-[1-azepanyl(oxo)methyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 3-(azepane-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 3-(azepane-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Formula: C19H20F3N3O2 MolecularWeight: 379.37621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCCCCC3

InChI

InChI=1S/C19H20F3N3O2/c1-13-11-16(26)17(18(27)24-9-4-2-3-5-10-24)23-25(13)15-8-6-7-14(12-15)19(20,21)22/h6-8,11-12H,2-5,9-10H2,1H3