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

Systemtic Name: 3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Formula: C25H29F3N4O3 MolecularWeight: 490.51797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H29F3N4O3/c1-17-15-21(33)22(29-32(17)20-8-6-7-19(16-20)25(26,27)28)24(35)31-13-9-18(10-14-31)23(34)30-11-4-2-3-5-12-30/h6-8,15-16,18H,2-5,9-14H2,1H3