N-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine

Systemtic Name: N-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine Openeye Name: N-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-thiazol-4-yl-ethanamine CAS Name: N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-(4-thiazolyl)ethanamine IUPAC Name: N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine Traditional Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-(2-thiazol-4-ylethyl)amine Formula: C22H21FN4OS MolecularWeight: 408.491743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2CNCCC3=CSC=N3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2CNCCC3=CSC=N3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H21FN4OS/c1-28-19-7-8-20(21(23)11-19)22-16(12-24-10-9-17-14-29-15-25-17)13-27(26-22)18-5-3-2-4-6-18/h2-8,11,13-15,24H,9-10,12H2,1H3