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

Systemtic Name: 3-[[4-fluoranyl-3-(4-pyrrolidin-3-ylcarbonylpiperazin-1-yl)carbonyl-phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one Openeye Name: 3-[[4-fluoro-3-[4-(pyrrolidine-3-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one CAS Name: 3-[[4-fluoro-3-[oxo-[4-[oxo(3-pyrrolidinyl)methyl]-1-piperazinyl]methyl]phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one IUPAC Name: 3-[[4-fluoro-3-[4-(pyrrolidine-3-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one Traditional Name: 3-[4-fluoro-3-[4-(pyrrolidine-3-carbonyl)piperazine-1-carbonyl]benzyl]-4,5-dimethyl-1H-pyridazin-6-one Formula: C23H28FN5O3 MolecularWeight: 441.498523

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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)C4CCNC4)C

Isomeric SMILES

CC1=C(C(=O)NN=C1CC2=CC(=C(C=C2)F)C(=O)N3CCN(CC3)C(=O)C4CCNC4)C

InChI

InChI=1S/C23H28FN5O3/c1-14-15(2)21(30)27-26-20(14)12-16-3-4-19(24)18(11-16)23(32)29-9-7-28(8-10-29)22(31)17-5-6-25-13-17/h3-4,11,17,25H,5-10,12-13H2,1-2H3,(H,27,30)