N-[5-ethyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[5-ethyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]-4-fluoranyl-benzamide Openeye Name: N-[5-ethyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]-4-fluoro-benzamide CAS Name: N-[5-ethyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide IUPAC Name: N-[5-ethyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide Traditional Name: N-[5-ethyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]-4-fluoro-benzamide Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C(C(=NN1)C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O4/c1-5-15-19(23-21(26)12-6-8-14(22)9-7-12)18(25-24-15)13-10-16(27-2)20(29-4)17(11-13)28-3/h6-11H,5H2,1-4H3,(H,23,26)(H,24,25)