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

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide Openeye Name: N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide CAS Name: N-[2-(4-ethyl-1-piperazinyl)ethyl]-2-[4-(1-oxopropylamino)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide Traditional Name: N-[2-(4-ethylpiperazino)ethyl]-2-(4-propionamidophenyl)cinchoninamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O2/c1-3-26(33)29-21-11-9-20(10-12-21)25-19-23(22-7-5-6-8-24(22)30-25)27(34)28-13-14-32-17-15-31(4-2)16-18-32/h5-12,19H,3-4,13-18H2,1-2H3,(H,28,34)(H,29,33)