N-[3-(4-methylpiperazin-1-yl)propyl]-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[3-(4-methylpiperazin-1-yl)propyl]-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide Openeye Name: N-[3-(4-methylpiperazin-1-yl)propyl]-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide CAS Name: N-[3-(4-methyl-1-piperazinyl)propyl]-2-[4-(1-oxopropylamino)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[3-(4-methylpiperazin-1-yl)propyl]-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide Traditional Name: N-[3-(4-methylpiperazino)propyl]-2-(4-propionamidophenyl)cinchoninamide Formula: C27H33N5O2 MolecularWeight: 459.58322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCN(CC4)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCN(CC4)C

InChI

InChI=1S/C27H33N5O2/c1-3-26(33)29-21-11-9-20(10-12-21)25-19-23(22-7-4-5-8-24(22)30-25)27(34)28-13-6-14-32-17-15-31(2)16-18-32/h4-5,7-12,19H,3,6,13-18H2,1-2H3,(H,28,34)(H,29,33)