1-cyclohexyl-2-[2-(2-pyrazol-1-ylethyl)quinolin-6-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[2-(2-pyrazol-1-ylethyl)quinolin-6-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[2-(2-pyrazol-1-ylethyl)-6-quinolyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[2-[2-(1-pyrazolyl)ethyl]-6-quinolinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[2-(2-pyrazol-1-ylethyl)quinolin-6-yl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[2-(2-pyrazol-1-ylethyl)-6-quinolyl]benzimidazole-5-carboxylic acid Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)CCN6C=CC=N6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)CCN6C=CC=N6

InChI

InChI=1S/C28H27N5O2/c34-28(35)21-9-12-26-25(18-21)31-27(33(26)23-5-2-1-3-6-23)20-8-11-24-19(17-20)7-10-22(30-24)13-16-32-15-4-14-29-32/h4,7-12,14-15,17-18,23H,1-3,5-6,13,16H2,(H,34,35)