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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-(4-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=C(C=C3)F)N4C=CC=C4)Cl)OC

Isomeric SMILES

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

InChI

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