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

Systemtic Name: 2-(3-methoxyphenyl)-N-[[3-[[[2-(3-methoxyphenyl)quinolin-4-yl]carbonylamino]methyl]phenyl]methyl]quinoline-4-carboxamide Openeye Name: 2-(3-methoxyphenyl)-N-[[3-[[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide CAS Name: 2-(3-methoxyphenyl)-N-[[3-[[[[2-(3-methoxyphenyl)-4-quinolinyl]-oxomethyl]amino]methyl]phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-methoxyphenyl)-N-[[3-[[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide Traditional Name: 2-(3-methoxyphenyl)-N-[3-[[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]benzyl]cinchoninamide Formula: C42H34N4O4 MolecularWeight: 658.74376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC(=CC=C4)CNC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC(=CC=C7)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC(=CC=C4)CNC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC(=CC=C7)OC

InChI

InChI=1S/C42H34N4O4/c1-49-31-14-8-12-29(21-31)39-23-35(33-16-3-5-18-37(33)45-39)41(47)43-25-27-10-7-11-28(20-27)26-44-42(48)36-24-40(30-13-9-15-32(22-30)50-2)46-38-19-6-4-17-34(36)38/h3-24H,25-26H2,1-2H3,(H,43,47)(H,44,48)