(phenylmethyl) 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,6-dimethyl-pyridazine-4-carboxylate

Systemtic Name: (phenylmethyl) 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,6-dimethyl-pyridazine-4-carboxylate Openeye Name: benzyl 5-[(2-chloro-6-fluoro-phenyl)methyl]-3,6-dimethyl-pyridazine-4-carboxylate CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-3,6-dimethyl-4-pyridazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(2-chloro-6-fluorophenyl)methyl]-3,6-dimethylpyridazine-4-carboxylate Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-3,6-dimethyl-pyridazine-4-carboxylic acid benzyl ester Formula: C21H18ClFN2O2 MolecularWeight: 384.831223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C(=C1CC2=C(C=CC=C2Cl)F)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN=C(C(=C1CC2=C(C=CC=C2Cl)F)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H18ClFN2O2/c1-13-16(11-17-18(22)9-6-10-19(17)23)20(14(2)25-24-13)21(26)27-12-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3