N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-(3-bromobenzyl)-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C21H16BrFN4O MolecularWeight: 439.280343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(C=NN2C3=CC=C(C=C3)F)C(=O)NCC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CN(C=C1)C2=C(C=NN2C3=CC=C(C=C3)F)C(=O)NCC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H16BrFN4O/c22-16-5-3-4-15(12-16)13-24-20(28)19-14-25-27(18-8-6-17(23)7-9-18)21(19)26-10-1-2-11-26/h1-12,14H,13H2,(H,24,28)