2-[4-[[(6-chloranylpyridazin-3-yl)amino]carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[[(6-chloranylpyridazin-3-yl)amino]carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[(6-chloropyridazin-3-yl)amino]carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[(6-chloro-3-pyridazinyl)hydrazo]-oxomethyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[(6-chloropyridazin-3-yl)amino]carbamoyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[[(6-chloropyridazin-3-yl)amino]carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C25H23ClN6O3 MolecularWeight: 490.94152

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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=NN=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN6O3/c26-21-12-13-22(29-28-21)30-31-24(33)16-8-6-15(7-9-16)23-27-19-14-17(25(34)35)10-11-20(19)32(23)18-4-2-1-3-5-18/h6-14,18H,1-5H2,(H,29,30)(H,31,33)(H,34,35)