[2-[2-(2-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[2-(2-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H18FN3O3 MolecularWeight: 367.373623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)F

Isomeric SMILES

C1=CC=C(C(=C1)CCNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)F

InChI

InChI=1S/C20H18FN3O3/c21-18-5-2-1-4-15(18)10-12-22-19(25)14-27-20(26)16-6-8-17(9-7-16)24-13-3-11-23-24/h1-9,11,13H,10,12,14H2,(H,22,25)