N-(3-chloranyl-4-methoxy-phenyl)-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C21H16ClFN4O2 MolecularWeight: 410.828743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4)Cl

InChI

InChI=1S/C21H16ClFN4O2/c1-29-19-9-6-15(12-18(19)22)25-20(28)17-13-24-27(16-7-4-14(23)5-8-16)21(17)26-10-2-3-11-26/h2-13H,1H3,(H,25,28)