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

Systemtic Name: 2-phenyl-N-[4-[3-[(2-phenylquinolin-4-yl)carbonylamino]propylamino]butyl]quinoline-4-carboxamide Openeye Name: 2-phenyl-N-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butyl]quinoline-4-carboxamide CAS Name: N-[4-[3-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]propylamino]butyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butyl]quinoline-4-carboxamide Traditional Name: 2-phenyl-N-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butyl]cinchoninamide Formula: C39H37N5O2 MolecularWeight: 607.74338

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C39H37N5O2/c45-38(32-26-36(28-14-3-1-4-15-28)43-34-20-9-7-18-30(32)34)41-24-12-11-22-40-23-13-25-42-39(46)33-27-37(29-16-5-2-6-17-29)44-35-21-10-8-19-31(33)35/h1-10,14-21,26-27,40H,11-13,22-25H2,(H,41,45)(H,42,46)