5-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

Systemtic Name: 5-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Openeye Name: 5-[[3-(3-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(1-piperidyl)thiazol-4-one CAS Name: 5-[[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-(1-piperidinyl)-4-thiazolone IUPAC Name: 5-[[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Traditional Name: 5-[[3-(3-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-piperidino-2-thiazolin-4-one Formula: C25H23FN4O2S MolecularWeight: 462.539123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCC4)C5=CC=CC=C5)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCC4)C5=CC=CC=C5)F

InChI

InChI=1S/C25H23FN4O2S/c1-32-21-11-10-17(14-20(21)26)23-18(16-30(28-23)19-8-4-2-5-9-19)15-22-24(31)27-25(33-22)29-12-6-3-7-13-29/h2,4-5,8-11,14-16H,3,6-7,12-13H2,1H3