2-(3-methylphenyl)-N-[8-[[2-(3-methylphenyl)quinolin-4-yl]carbonylamino]octyl]quinoline-4-carboxamide

Systemtic Name: 2-(3-methylphenyl)-N-[8-[[2-(3-methylphenyl)quinolin-4-yl]carbonylamino]octyl]quinoline-4-carboxamide Openeye Name: 2-(m-tolyl)-N-[8-[[2-(m-tolyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide CAS Name: 2-(3-methylphenyl)-N-[8-[[[2-(3-methylphenyl)-4-quinolinyl]-oxomethyl]amino]octyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-methylphenyl)-N-[8-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide Traditional Name: 2-(m-tolyl)-N-[8-[[2-(m-tolyl)quinoline-4-carbonyl]amino]octyl]cinchoninamide Formula: C42H42N4O2 MolecularWeight: 634.80848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCCCCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC(=CC=C6)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCCCCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC(=CC=C6)C

InChI

InChI=1S/C42H42N4O2/c1-29-15-13-17-31(25-29)39-27-35(33-19-7-9-21-37(33)45-39)41(47)43-23-11-5-3-4-6-12-24-44-42(48)36-28-40(32-18-14-16-30(2)26-32)46-38-22-10-8-20-34(36)38/h7-10,13-22,25-28H,3-6,11-12,23-24H2,1-2H3,(H,43,47)(H,44,48)