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

Systemtic Name: 2-(3-methylphenyl)-N-[3-[[2-(3-methylphenyl)quinolin-4-yl]carbonylamino]-4-phenyldiazenyl-phenyl]quinoline-4-carboxamide Openeye Name: 2-(m-tolyl)-N-[3-[[2-(m-tolyl)quinoline-4-carbonyl]amino]-4-phenylazo-phenyl]quinoline-4-carboxamide CAS Name: 2-(3-methylphenyl)-N-[3-[[[2-(3-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-4-phenyldiazenylphenyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-methylphenyl)-N-[3-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide Traditional Name: 2-(m-tolyl)-N-[3-[[2-(m-tolyl)quinoline-4-carbonyl]amino]-4-phenylazo-phenyl]cinchoninamide Formula: C46H34N6O2 MolecularWeight: 702.80116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H34N6O2/c1-29-12-10-14-31(24-29)42-27-37(35-18-6-8-20-39(35)48-42)45(53)47-34-22-23-41(52-51-33-16-4-3-5-17-33)44(26-34)50-46(54)38-28-43(32-15-11-13-30(2)25-32)49-40-21-9-7-19-36(38)40/h3-28H,1-2H3,(H,47,53)(H,50,54)