(phenylmethyl) 4-[[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 4-[[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: benzyl 4-[[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]amino]-4-keto-butyric acid benzyl ester Formula: C25H21FN4O3 MolecularWeight: 444.457643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(=O)NC2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC(=O)NC2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN4O3/c26-20-8-6-19(7-9-20)24-23(18-12-14-27-15-13-18)25(30-29-24)28-21(31)10-11-22(32)33-16-17-4-2-1-3-5-17/h1-9,12-15H,10-11,16H2,(H2,28,29,30,31)