N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-[[2-(1-piperidylmethyl)phenyl]methyl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[[2-(1-piperidinylmethyl)phenyl]methyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-[2-(piperidinomethyl)benzyl]-2-(2-pyridyl)cinchoninamide Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C28H28N4O/c33-28(30-19-21-10-2-3-11-22(21)20-32-16-8-1-9-17-32)24-18-27(26-14-6-7-15-29-26)31-25-13-5-4-12-23(24)25/h2-7,10-15,18H,1,8-9,16-17,19-20H2,(H,30,33)