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

Systemtic Name: 3-[[4-fluoranyl-3-[4-(2-prop-2-enylpyrrolidin-2-yl)carbonylpiperazin-1-yl]carbonyl-phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one Openeye Name: 3-[[3-[4-(2-allylpyrrolidine-2-carbonyl)piperazine-1-carbonyl]-4-fluoro-phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one CAS Name: 3-[[4-fluoro-3-[oxo-[4-[oxo-(2-prop-2-enyl-2-pyrrolidinyl)methyl]-1-piperazinyl]methyl]phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one IUPAC Name: 3-[[4-fluoro-3-[4-(2-prop-2-enylpyrrolidine-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one Traditional Name: 3-[3-[4-(2-allylprolyl)piperazine-1-carbonyl]-4-fluoro-benzyl]-4,5-dimethyl-1H-pyridazin-6-one Formula: C26H32FN5O3 MolecularWeight: 481.562383

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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(CCCN4)CC=C)C

Isomeric SMILES

CC1=C(C(=O)NN=C1CC2=CC(=C(C=C2)F)C(=O)N3CCN(CC3)C(=O)C4(CCCN4)CC=C)C

InChI

InChI=1S/C26H32FN5O3/c1-4-8-26(9-5-10-28-26)25(35)32-13-11-31(12-14-32)24(34)20-15-19(6-7-21(20)27)16-22-17(2)18(3)23(33)30-29-22/h4,6-7,15,28H,1,5,8-14,16H2,2-3H3,(H,30,33)