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

Systemtic Name: 3-methyl-N-[3-[[3-methyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-4-phenyldiazenyl-phenyl]-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: 3-methyl-N-[3-[[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]-4-phenylazo-phenyl]-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 3-methyl-N-[3-[[[3-methyl-2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-4-phenyldiazenylphenyl]-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: 3-methyl-N-[3-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: 3-methyl-N-[3-[[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]-4-phenylazo-phenyl]-2-(p-tolyl)cinchoninamide Formula: C48H38N6O2 MolecularWeight: 730.85432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4=CC(=C(C=C4)N=NC5=CC=CC=C5)NC(=O)C6=C(C(=NC7=CC=CC=C76)C8=CC=C(C=C8)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4=CC(=C(C=C4)N=NC5=CC=CC=C5)NC(=O)C6=C(C(=NC7=CC=CC=C76)C8=CC=C(C=C8)C)C

InChI

InChI=1S/C48H38N6O2/c1-29-18-22-33(23-19-29)45-31(3)43(37-14-8-10-16-39(37)50-45)47(55)49-36-26-27-41(54-53-35-12-6-5-7-13-35)42(28-36)52-48(56)44-32(4)46(34-24-20-30(2)21-25-34)51-40-17-11-9-15-38(40)44/h5-28H,1-4H3,(H,49,55)(H,52,56)