N-[4-(phenoxymethyl)phenyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-(phenoxymethyl)phenyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[4-(phenoxymethyl)phenyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[4-(phenoxymethyl)phenyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(phenoxymethyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[4-(phenoxymethyl)phenyl]-2-(3-pyridyl)cinchoninamide Formula: C28H21N3O2 MolecularWeight: 431.48524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C28H21N3O2/c32-28(30-22-14-12-20(13-15-22)19-33-23-8-2-1-3-9-23)25-17-27(21-7-6-16-29-18-21)31-26-11-5-4-10-24(25)26/h1-18H,19H2,(H,30,32)