1-[3-(4-butoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-[3-(4-butoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-[3-(4-butoxy-3-fluorophenyl)-1-phenyl-4-pyrazolyl]-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-[3-(4-butoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (Z)-[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]methylene-(1,2,4-triazol-4-yl)amine Formula: C22H21FN6O MolecularWeight: 404.440143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=NN3C=NN=C3)C4=CC=CC=C4)F

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=N\N3C=NN=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H21FN6O/c1-2-3-11-30-21-10-9-17(12-20(21)23)22-18(13-26-28-15-24-25-16-28)14-29(27-22)19-7-5-4-6-8-19/h4-10,12-16H,2-3,11H2,1H3/b26-13-