N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)-4-piperidyl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidinyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)-4-piperidyl]-2-(2-pyridyl)cinchoninamide Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2/c34-27(30-20-8-2-1-3-9-20)19-33-16-13-21(14-17-33)31-28(35)23-18-26(25-12-6-7-15-29-25)32-24-11-5-4-10-22(23)24/h1-12,15,18,21H,13-14,16-17,19H2,(H,30,34)(H,31,35)