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

Systemtic Name: 3-methyl-N-[3-[[3-methyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-4-nitro-phenyl]-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: 3-methyl-N-[3-[[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]-4-nitro-phenyl]-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 3-methyl-N-[3-[[[3-methyl-2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-4-nitrophenyl]-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: 3-methyl-N-[3-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]-4-nitrophenyl]-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: 3-methyl-N-[3-[[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]-4-nitro-phenyl]-2-(p-tolyl)cinchoninamide Formula: C42H33N5O4 MolecularWeight: 671.74252

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

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4=CC(=C(C=C4)[N+](=O)[O-])NC(=O)C5=C(C(=NC6=CC=CC=C65)C7=CC=C(C=C7)C)C

InChI

InChI=1S/C42H33N5O4/c1-24-13-17-28(18-14-24)39-26(3)37(31-9-5-7-11-33(31)44-39)41(48)43-30-21-22-36(47(50)51)35(23-30)46-42(49)38-27(4)40(29-19-15-25(2)16-20-29)45-34-12-8-6-10-32(34)38/h5-23H,1-4H3,(H,43,48)(H,46,49)