N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C22H18ClFN4O3 MolecularWeight: 440.854723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=C(N(N=C2)C3=CC=CC=C3F)N4C=CC=C4)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=C(N(N=C2)C3=CC=CC=C3F)N4C=CC=C4)OC)Cl

InChI

InChI=1S/C22H18ClFN4O3/c1-30-19-12-17(20(31-2)11-15(19)23)26-21(29)14-13-25-28(18-8-4-3-7-16(18)24)22(14)27-9-5-6-10-27/h3-13H,1-2H3,(H,26,29)