[2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H20FN3O4/c1-24(13-15-4-9-19(28-2)18(22)12-15)20(26)14-29-21(27)16-5-7-17(8-6-16)25-11-3-10-23-25/h3-12H,13-14H2,1-2H3