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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=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=C(C=C7)C

Isomeric SMILES

CC1=CC=C(C=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=C(C=C7)C

InChI

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