3-(azepan-1-ylcarbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 3-(azepane-1-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 3-[1-azepanyl(oxo)methyl]-6-methyl-1-[2-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 3-(azepane-1-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 3-(azepane-1-carbonyl)-6-methyl-1-[2-(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=C2C(F)(F)F)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)N3CCCCCC3

InChI

InChI=1S/C19H20F3N3O2/c1-13-12-16(26)17(18(27)24-10-6-2-3-7-11-24)23-25(13)15-9-5-4-8-14(15)19(20,21)22/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3