2-(2,4-dimethylphenyl)-N-[4-[[4-[[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonylamino]cyclohexyl]methyl]cyclohexyl]quinoline-4-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)-N-[4-[[4-[[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonylamino]cyclohexyl]methyl]cyclohexyl]quinoline-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-N-[4-[[4-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]cyclohexyl]methyl]cyclohexyl]quinoline-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-N-[4-[[4-[[[2-(2,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]amino]cyclohexyl]methyl]cyclohexyl]-4-quinolinecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-N-[4-[[4-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]cyclohexyl]methyl]cyclohexyl]quinoline-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-[4-[[4-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]cyclohexyl]methyl]cyclohexyl]cinchoninamide Formula: C49H52N4O2 MolecularWeight: 728.96278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCC(CC4)CC5CCC(CC5)NC(=O)C6=CC(=NC7=CC=CC=C76)C8=C(C=C(C=C8)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCC(CC4)CC5CCC(CC5)NC(=O)C6=CC(=NC7=CC=CC=C76)C8=C(C=C(C=C8)C)C)C

InChI

InChI=1S/C49H52N4O2/c1-30-13-23-38(32(3)25-30)46-28-42(40-9-5-7-11-44(40)52-46)48(54)50-36-19-15-34(16-20-36)27-35-17-21-37(22-18-35)51-49(55)43-29-47(39-24-14-31(2)26-33(39)4)53-45-12-8-6-10-41(43)45/h5-14,23-26,28-29,34-37H,15-22,27H2,1-4H3,(H,50,54)(H,51,55)