(E)-7-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyrazin-2-yl-pyrazol-4-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid

Systemtic Name: (E)-7-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyrazin-2-yl-pyrazol-4-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid Openeye Name: (E)-7-[5-(4-fluorophenyl)-3-isopropyl-1-pyrazin-2-yl-pyrazol-4-yl]-5-hydroxy-3-oxo-hept-6-enoic acid CAS Name: (E)-7-[5-(4-fluorophenyl)-3-propan-2-yl-1-(2-pyrazinyl)-4-pyrazolyl]-5-hydroxy-3-oxo-6-heptenoic acid IUPAC Name: (E)-7-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyrazin-2-ylpyrazol-4-yl]-5-hydroxy-3-oxohept-6-enoic acid Traditional Name: (E)-7-[5-(4-fluorophenyl)-3-isopropyl-1-pyrazin-2-yl-pyrazol-4-yl]-5-hydroxy-3-keto-hept-6-enoic acid Formula: C23H23FN4O4 MolecularWeight: 438.451523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1C=CC(CC(=O)CC(=O)O)O)C2=CC=C(C=C2)F)C3=NC=CN=C3

Isomeric SMILES

CC(C)C1=NN(C(=C1/C=C/C(CC(=O)CC(=O)O)O)C2=CC=C(C=C2)F)C3=NC=CN=C3

InChI

InChI=1S/C23H23FN4O4/c1-14(2)22-19(8-7-17(29)11-18(30)12-21(31)32)23(15-3-5-16(24)6-4-15)28(27-22)20-13-25-9-10-26-20/h3-10,13-14,17,29H,11-12H2,1-2H3,(H,31,32)/b8-7+