2-[4-[[(7-chloranylquinolin-4-yl)amino]carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[[(7-chloranylquinolin-4-yl)amino]carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[(7-chloro-4-quinolyl)amino]carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[(7-chloro-4-quinolinyl)hydrazo]-oxomethyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[(7-chloroquinolin-4-yl)amino]carbamoyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[[(7-chloro-4-quinolyl)amino]carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C30H26ClN5O3 MolecularWeight: 540.01214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)C(=O)NNC5=C6C=CC(=CC6=NC=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)C(=O)NNC5=C6C=CC(=CC6=NC=C5)Cl

InChI

InChI=1S/C30H26ClN5O3/c31-21-11-12-23-24(14-15-32-25(23)17-21)34-35-29(37)19-8-6-18(7-9-19)28-33-26-16-20(30(38)39)10-13-27(26)36(28)22-4-2-1-3-5-22/h6-17,22H,1-5H2,(H,32,34)(H,35,37)(H,38,39)