3-(4-bromophenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-bromophenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-bromophenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid CAS Name: 3-(4-bromophenyl)-1-phenyl-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-bromophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(4-bromophenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid Formula: C19H17BrN2O2 MolecularWeight: 385.25448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H17BrN2O2/c1-2-6-16-17(19(23)24)18(13-9-11-14(20)12-10-13)21-22(16)15-7-4-3-5-8-15/h3-5,7-12H,2,6H2,1H3,(H,23,24)