ethyl 4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-keto-butyric acid ethyl ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC(=O)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C22H22FN3O3/c1-2-29-21(28)13-12-20(27)24-14-17-15-26(19-6-4-3-5-7-19)25-22(17)16-8-10-18(23)11-9-16/h3-11,15H,2,12-14H2,1H3,(H,24,27)