methyl (3R,4S)-4-(4-fluorophenyl)-1-[(6-oxidanylidene-1H-pyridazin-3-yl)carbonyl]pyrrolidine-3-carboxylate

Systemtic Name: methyl (3R,4S)-4-(4-fluorophenyl)-1-[(6-oxidanylidene-1H-pyridazin-3-yl)carbonyl]pyrrolidine-3-carboxylate Openeye Name: methyl (3R,4S)-4-(4-fluorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxylate CAS Name: (3R,4S)-4-(4-fluorophenyl)-1-[oxo-(6-oxo-1H-pyridazin-3-yl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-4-(4-fluorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxylate Traditional Name: (3R,4S)-4-(4-fluorophenyl)-1-(6-keto-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C17H16FN3O4 MolecularWeight: 345.325043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN3O4/c1-25-17(24)13-9-21(16(23)14-6-7-15(22)20-19-14)8-12(13)10-2-4-11(18)5-3-10/h2-7,12-13H,8-9H2,1H3,(H,20,22)/t12-,13+/m1/s1