[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H21ClFN3O3 MolecularWeight: 429.871843

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H21ClFN3O3/c1-26(14-18-19(23)8-5-9-20(18)24)21(28)15-30-22(29)11-10-16-12-25-27(13-16)17-6-3-2-4-7-17/h2-9,12-13H,10-11,14-15H2,1H3