2-[[(2S)-1-cyclohexylcarbonylpyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one

Systemtic Name: 2-[[(2S)-1-cyclohexylcarbonylpyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one Openeye Name: 2-[[(2S)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one CAS Name: 2-[[(2S)-1-[cyclohexyl(oxo)methyl]-2-pyrrolidinyl]methyl]-6-(4-fluorophenyl)-3-pyridazinone IUPAC Name: 2-[[(2S)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one Traditional Name: 2-[[(2S)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one Formula: C22H26FN3O2 MolecularWeight: 383.459143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCC2CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCC[C@H]2CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN3O2/c23-18-10-8-16(9-11-18)20-12-13-21(27)26(24-20)15-19-7-4-14-25(19)22(28)17-5-2-1-3-6-17/h8-13,17,19H,1-7,14-15H2/t19-/m0/s1