N-[3-[bis(2-methylpropyl)amino]propyl]-2-phenylazanyl-quinoline-4-carboxamide

Systemtic Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-phenylazanyl-quinoline-4-carboxamide Openeye Name: 2-anilino-N-[3-(diisobutylamino)propyl]quinoline-4-carboxamide CAS Name: 2-anilino-N-[3-[bis(2-methylpropyl)amino]propyl]-4-quinolinecarboxamide IUPAC Name: 2-anilino-N-[3-[bis(2-methylpropyl)amino]propyl]quinoline-4-carboxamide Traditional Name: 2-anilino-N-[3-(diisobutylamino)propyl]cinchoninamide Formula: C27H36N4O MolecularWeight: 432.60094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC(C)CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C27H36N4O/c1-20(2)18-31(19-21(3)4)16-10-15-28-27(32)24-17-26(29-22-11-6-5-7-12-22)30-25-14-9-8-13-23(24)25/h5-9,11-14,17,20-21H,10,15-16,18-19H2,1-4H3,(H,28,32)(H,29,30)