ethyl 4-[3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoylamino]benzoate

Systemtic Name: ethyl 4-[3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoylamino]benzoate Openeye Name: ethyl 4-[3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoylamino]benzoate CAS Name: 4-[[3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoylamino]benzoate Traditional Name: 4-[[3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]acryloyl]amino]benzoic acid ethyl ester Formula: C27H22FN3O3 MolecularWeight: 455.480283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C27H22FN3O3/c1-2-34-27(33)20-10-15-23(16-11-20)29-25(32)17-12-21-18-31(24-6-4-3-5-7-24)30-26(21)19-8-13-22(28)14-9-19/h3-18H,2H2,1H3,(H,29,32)