[2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate

Systemtic Name: [2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate Openeye Name: [2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-[(5-cyclopropyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-cyclopropyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H18FN3O3 MolecularWeight: 379.384323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C21H18FN3O3/c22-16-10-8-15(9-11-16)21(27)28-13-20(26)23-19-12-18(14-6-7-14)24-25(19)17-4-2-1-3-5-17/h1-5,8-12,14H,6-7,13H2,(H,23,26)