3-[[4-fluoranyl-3-[4-(2-methylpiperidin-2-yl)carbonylpiperazin-1-yl]carbonyl-phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one

Systemtic Name: 3-[[4-fluoranyl-3-[4-(2-methylpiperidin-2-yl)carbonylpiperazin-1-yl]carbonyl-phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one Openeye Name: 3-[[4-fluoro-3-[4-(2-methylpiperidine-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one CAS Name: 3-[[4-fluoro-3-[[4-[(2-methyl-2-piperidinyl)-oxomethyl]-1-piperazinyl]-oxomethyl]phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one IUPAC Name: 3-[[4-fluoro-3-[4-(2-methylpiperidine-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one Traditional Name: 3-[4-fluoro-3-[4-(2-methylpipecoloyl)piperazine-1-carbonyl]benzyl]-4,5-dimethyl-1H-pyridazin-6-one Formula: C25H32FN5O3 MolecularWeight: 469.551683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN=C1CC2=CC(=C(C=C2)F)C(=O)N3CCN(CC3)C(=O)C4(CCCCN4)C)C

Isomeric SMILES

CC1=C(C(=O)NN=C1CC2=CC(=C(C=C2)F)C(=O)N3CCN(CC3)C(=O)C4(CCCCN4)C)C

InChI

InChI=1S/C25H32FN5O3/c1-16-17(2)22(32)29-28-21(16)15-18-6-7-20(26)19(14-18)23(33)30-10-12-31(13-11-30)24(34)25(3)8-4-5-9-27-25/h6-7,14,27H,4-5,8-13,15H2,1-3H3,(H,29,32)