N-[(3-piperidin-1-ylcarbonylphenyl)methyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[(3-piperidin-1-ylcarbonylphenyl)methyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[[3-[oxo(1-piperidinyl)methyl]phenyl]methyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[3-(piperidine-1-carbonyl)benzyl]-2-(4-pyridyl)cinchoninamide Formula: C28H26N4O2 MolecularWeight: 450.53164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=CC=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=CC=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C28H26N4O2/c33-27(30-19-20-7-6-8-22(17-20)28(34)32-15-4-1-5-16-32)24-18-26(21-11-13-29-14-12-21)31-25-10-3-2-9-23(24)25/h2-3,6-14,17-18H,1,4-5,15-16,19H2,(H,30,33)