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

Systemtic Name: 2-(4-ethoxyphenyl)-N-[3-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]-4-nitro-phenyl]quinoline-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)-N-[3-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4-nitro-phenyl]quinoline-4-carboxamide CAS Name: 2-(4-ethoxyphenyl)-N-[3-[[[2-(4-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-4-nitrophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)-N-[3-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4-nitrophenyl]quinoline-4-carboxamide Traditional Name: N-[4-nitro-3-[(2-p-phenetylquinoline-4-carbonyl)amino]phenyl]-2-p-phenetyl-cinchoninamide Formula: C42H33N5O6 MolecularWeight: 703.74132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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)OCC

Isomeric SMILES

CCOC1=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)OCC

InChI

InChI=1S/C42H33N5O6/c1-3-52-29-18-13-26(14-19-29)37-24-33(31-9-5-7-11-35(31)44-37)41(48)43-28-17-22-40(47(50)51)39(23-28)46-42(49)34-25-38(45-36-12-8-6-10-32(34)36)27-15-20-30(21-16-27)53-4-2/h5-25H,3-4H2,1-2H3,(H,43,48)(H,46,49)