methyl (3S,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-pyridazin-3-yl-pyrrolidine-3-carboxylate

Systemtic Name: methyl (3S,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-pyridazin-3-yl-pyrrolidine-3-carboxylate Openeye Name: methyl (3S,4R)-4-(2,4-difluorophenyl)-1-pyridazin-3-yl-pyrrolidine-3-carboxylate CAS Name: (3S,4R)-4-(2,4-difluorophenyl)-1-(3-pyridazinyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(2,4-difluorophenyl)-1-pyridazin-3-ylpyrrolidine-3-carboxylate Traditional Name: (3S,4R)-4-(2,4-difluorophenyl)-1-pyridazin-3-yl-pyrrolidine-3-carboxylic acid methyl ester Formula: C16H15F2N3O2 MolecularWeight: 319.306006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC1C2=C(C=C(C=C2)F)F)C3=NN=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1CN(C[C@H]1C2=C(C=C(C=C2)F)F)C3=NN=CC=C3

InChI

InChI=1S/C16H15F2N3O2/c1-23-16(22)13-9-21(15-3-2-6-19-20-15)8-12(13)11-5-4-10(17)7-14(11)18/h2-7,12-13H,8-9H2,1H3/t12-,13+/m0/s1