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

Systemtic Name: 2-phenyl-N-[3-[3-[(2-phenylquinolin-4-yl)carbonylamino]propylamino]propyl]quinoline-4-carboxamide Openeye Name: 2-phenyl-N-[3-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]propyl]quinoline-4-carboxamide CAS Name: N-[3-[3-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]propylamino]propyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-[3-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]propyl]quinoline-4-carboxamide Traditional Name: 2-phenyl-N-[3-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]propyl]cinchoninamide Formula: C38H35N5O2 MolecularWeight: 593.7168

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C38H35N5O2/c44-37(31-25-35(27-13-3-1-4-14-27)42-33-19-9-7-17-29(31)33)40-23-11-21-39-22-12-24-41-38(45)32-26-36(28-15-5-2-6-16-28)43-34-20-10-8-18-30(32)34/h1-10,13-20,25-26,39H,11-12,21-24H2,(H,40,44)(H,41,45)