2-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-[4-(propanoylamino)phenyl]-N-(3-pyridylmethyl)quinoline-4-carboxamide CAS Name: 2-[4-(1-oxopropylamino)phenyl]-N-(3-pyridinylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-(4-propionamidophenyl)-N-(3-pyridylmethyl)cinchoninamide Formula: C25H22N4O2 MolecularWeight: 410.46778

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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)NCC4=CN=CC=C4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H22N4O2/c1-2-24(30)28-19-11-9-18(10-12-19)23-14-21(20-7-3-4-8-22(20)29-23)25(31)27-16-17-6-5-13-26-15-17/h3-15H,2,16H2,1H3,(H,27,31)(H,28,30)