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

Systemtic Name: 3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]-6-methyl-1-[2-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-6-methyl-1-[2-(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=C2C(F)(F)F)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H29F3N4O3/c1-17-16-21(33)22(29-32(17)20-9-5-4-8-19(20)25(26,27)28)24(35)31-14-10-18(11-15-31)23(34)30-12-6-2-3-7-13-30/h4-5,8-9,16,18H,2-3,6-7,10-15H2,1H3