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

Systemtic Name: N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)-3-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-(3-bromobenzyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C22H18BrFN4O MolecularWeight: 453.306923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CC(=CC=C2)Br)N3C=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CC(=CC=C2)Br)N3C=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18BrFN4O/c1-15-20(21(29)25-14-16-5-4-6-17(23)13-16)22(27-11-2-3-12-27)28(26-15)19-9-7-18(24)8-10-19/h2-13H,14H2,1H3,(H,25,29)