2-(3,4-dimethylphenyl)-N-[[3-[[[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]methyl]phenyl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-[[3-[[[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]methyl]phenyl]methyl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-[[3-[[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[[3-[[[[2-(3,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]amino]methyl]phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-[[3-[[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-[3-[[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]methyl]benzyl]cinchoninamide Formula: C44H38N4O2 MolecularWeight: 654.79812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC(=CC=C4)CNC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC(=C(C=C7)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC(=CC=C4)CNC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC(=C(C=C7)C)C)C

InChI

InChI=1S/C44H38N4O2/c1-27-16-18-33(20-29(27)3)41-23-37(35-12-5-7-14-39(35)47-41)43(49)45-25-31-10-9-11-32(22-31)26-46-44(50)38-24-42(34-19-17-28(2)30(4)21-34)48-40-15-8-6-13-36(38)40/h5-24H,25-26H2,1-4H3,(H,45,49)(H,46,50)