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

Systemtic Name: 2-(3-methylphenyl)-N-[3-[[2-(3-methylphenyl)quinolin-4-yl]carbonylamino]-4-nitro-phenyl]quinoline-4-carboxamide Openeye Name: 2-(m-tolyl)-N-[3-[[2-(m-tolyl)quinoline-4-carbonyl]amino]-4-nitro-phenyl]quinoline-4-carboxamide CAS Name: 2-(3-methylphenyl)-N-[3-[[[2-(3-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-4-nitrophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-methylphenyl)-N-[3-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]-4-nitrophenyl]quinoline-4-carboxamide Traditional Name: 2-(m-tolyl)-N-[3-[[2-(m-tolyl)quinoline-4-carbonyl]amino]-4-nitro-phenyl]cinchoninamide Formula: C40H29N5O4 MolecularWeight: 643.68936

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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+](=O)[O-])NC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC(=CC=C7)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=C(C=C4)[N+](=O)[O-])NC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC(=CC=C7)C

InChI

InChI=1S/C40H29N5O4/c1-24-9-7-11-26(19-24)35-22-31(29-13-3-5-15-33(29)42-35)39(46)41-28-17-18-38(45(48)49)37(21-28)44-40(47)32-23-36(27-12-8-10-25(2)20-27)43-34-16-6-4-14-30(32)34/h3-23H,1-2H3,(H,41,46)(H,44,47)