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

Systemtic Name: 6-methyl-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 6-methyl-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 6-methyl-3-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]-1-[2-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 6-methyl-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 6-methyl-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one Formula: C24H25F3N4O2 MolecularWeight: 458.47611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)N3CCCCCC3C4=CC=CN4C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)N3CCCCCC3C4=CC=CN4C

InChI

InChI=1S/C24H25F3N4O2/c1-16-15-21(32)22(28-31(16)18-10-6-5-9-17(18)24(25,26)27)23(33)30-14-7-3-4-11-20(30)19-12-8-13-29(19)2/h5-6,8-10,12-13,15,20H,3-4,7,11,14H2,1-2H3