6-[2-[3-butan-2-yl-5-(4-fluorophenyl)-1-(2-phenylazanylpyridin-4-yl)pyrazol-4-yl]ethyl]-4-oxidanyl-oxan-2-one

Systemtic Name: 6-[2-[3-butan-2-yl-5-(4-fluorophenyl)-1-(2-phenylazanylpyridin-4-yl)pyrazol-4-yl]ethyl]-4-oxidanyl-oxan-2-one Openeye Name: 6-[2-[1-(2-anilino-4-pyridyl)-5-(4-fluorophenyl)-3-sec-butyl-pyrazol-4-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one CAS Name: 6-[2-[1-(2-anilino-4-pyridinyl)-3-butan-2-yl-5-(4-fluorophenyl)-4-pyrazolyl]ethyl]-4-hydroxy-2-oxanone IUPAC Name: 6-[2-[1-(2-anilinopyridin-4-yl)-3-butan-2-yl-5-(4-fluorophenyl)pyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one Traditional Name: 6-[2-[1-(2-anilino-4-pyridyl)-5-(4-fluorophenyl)-3-sec-butyl-pyrazol-4-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one Formula: C31H33FN4O3 MolecularWeight: 528.617123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=C1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC(=NC=C4)NC5=CC=CC=C5

Isomeric SMILES

CCC(C)C1=NN(C(=C1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC(=NC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C31H33FN4O3/c1-3-20(2)30-27(14-13-26-18-25(37)19-29(38)39-26)31(21-9-11-22(32)12-10-21)36(35-30)24-15-16-33-28(17-24)34-23-7-5-4-6-8-23/h4-12,15-17,20,25-26,37H,3,13-14,18-19H2,1-2H3,(H,33,34)