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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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)CC

Isomeric SMILES

CCC1=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)CC

InChI

InChI=1S/C42H33N5O4/c1-3-26-13-17-28(18-14-26)37-24-33(31-9-5-7-11-35(31)44-37)41(48)43-30-21-22-40(47(50)51)39(23-30)46-42(49)34-25-38(29-19-15-27(4-2)16-20-29)45-36-12-8-6-10-32(34)36/h5-25H,3-4H2,1-2H3,(H,43,48)(H,46,49)