N-(1-phenylethyl)-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide

Systemtic Name: N-(1-phenylethyl)-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide Openeye Name: N-(1-phenylethyl)-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide CAS Name: 2-[4-(1-oxopropylamino)phenyl]-N-(1-phenylethyl)-4-quinolinecarboxamide IUPAC Name: N-(1-phenylethyl)-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide Traditional Name: N-(1-phenylethyl)-2-(4-propionamidophenyl)cinchoninamide Formula: C27H25N3O2 MolecularWeight: 423.5063

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)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O2/c1-3-26(31)29-21-15-13-20(14-16-21)25-17-23(22-11-7-8-12-24(22)30-25)27(32)28-18(2)19-9-5-4-6-10-19/h4-18H,3H2,1-2H3,(H,28,32)(H,29,31)