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

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide CAS Name: N-[2-(4-methyl-1-piperazinyl)ethyl]-2-[4-(1-oxopropylamino)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide Traditional Name: N-[2-(4-methylpiperazino)ethyl]-2-(4-propionamidophenyl)cinchoninamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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)NCCN4CCN(CC4)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCN(CC4)C

InChI

InChI=1S/C26H31N5O2/c1-3-25(32)28-20-10-8-19(9-11-20)24-18-22(21-6-4-5-7-23(21)29-24)26(33)27-12-13-31-16-14-30(2)15-17-31/h4-11,18H,3,12-17H2,1-2H3,(H,27,33)(H,28,32)