1-cyclohexyl-2-[3-(isoquinolin-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[3-(isoquinolin-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[3-(5-isoquinolylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[(5-isoquinolinylamino)-oxomethyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[3-(isoquinolin-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[3-(5-isoquinolylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid Formula: C30H26N4O3 MolecularWeight: 490.55244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NC5=CC=CC6=C5C=CN=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NC5=CC=CC6=C5C=CN=C6

InChI

InChI=1S/C30H26N4O3/c35-29(33-25-11-5-8-22-18-31-15-14-24(22)25)20-7-4-6-19(16-20)28-32-26-17-21(30(36)37)12-13-27(26)34(28)23-9-2-1-3-10-23/h4-8,11-18,23H,1-3,9-10H2,(H,33,35)(H,36,37)