1-cyclohexyl-2-[2-(4-piperazin-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[2-(4-piperazin-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[2-(4-piperazin-1-ylphenyl)-6-quinolyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[2-[4-(1-piperazinyl)phenyl]-6-quinolinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[2-(4-piperazin-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[2-(4-piperazinophenyl)-6-quinolyl]benzimidazole-5-carboxylic acid Formula: C33H33N5O2 MolecularWeight: 531.64742

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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)C6=CC=C(C=C6)N7CCNCC7

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C6=CC=C(C=C6)N7CCNCC7

InChI

InChI=1S/C33H33N5O2/c39-33(40)25-10-15-31-30(21-25)36-32(38(31)27-4-2-1-3-5-27)24-9-14-29-23(20-24)8-13-28(35-29)22-6-11-26(12-7-22)37-18-16-34-17-19-37/h6-15,20-21,27,34H,1-5,16-19H2,(H,39,40)