2-phenyl-N-[3-[4-[3-[(2-phenylquinolin-4-yl)carbonylamino]propylamino]butylamino]propyl]quinoline-4-carboxamide

Systemtic Name: 2-phenyl-N-[3-[4-[3-[(2-phenylquinolin-4-yl)carbonylamino]propylamino]butylamino]propyl]quinoline-4-carboxamide Openeye Name: 2-phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butylamino]propyl]quinoline-4-carboxamide CAS Name: N-[3-[4-[3-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]propylamino]butylamino]propyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butylamino]propyl]quinoline-4-carboxamide Traditional Name: 2-phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butylamino]propyl]cinchoninamide Formula: C42H44N6O2 MolecularWeight: 664.83776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H44N6O2/c49-41(35-29-39(31-15-3-1-4-16-31)47-37-21-9-7-19-33(35)37)45-27-13-25-43-23-11-12-24-44-26-14-28-46-42(50)36-30-40(32-17-5-2-6-18-32)48-38-22-10-8-20-34(36)38/h1-10,15-22,29-30,43-44H,11-14,23-28H2,(H,45,49)(H,46,50)