5-(4-ethylphenyl)-1-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-ethylphenyl)-1-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxylic acid Openeye Name: 5-(4-ethylphenyl)-1-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxylic acid CAS Name: 5-(4-ethylphenyl)-1-(1-methyl-2-benzimidazolyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-ethylphenyl)-1-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-ethylphenyl)-1-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxylic acid Formula: C20H18N4O2 MolecularWeight: 346.38252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NN2C3=NC4=CC=CC=C4N3C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NN2C3=NC4=CC=CC=C4N3C)C(=O)O

InChI

InChI=1S/C20H18N4O2/c1-3-13-8-10-14(11-9-13)18-12-16(19(25)26)22-24(18)20-21-15-6-4-5-7-17(15)23(20)2/h4-12H,3H2,1-2H3,(H,25,26)