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

Systemtic Name: 1-(3-bromophenyl)-3-(3-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-3-(3-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-3-(3-methoxyphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-3-(3-methoxyphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-3-(3-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O3/c1-3-6-17-18(20(24)25)19(13-7-4-10-16(11-13)26-2)22-23(17)15-9-5-8-14(21)12-15/h4-5,7-12H,3,6H2,1-2H3,(H,24,25)