6-chloranyl-N-[3-[(phenylmethyl)carbamoyl]phenyl]-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-N-[3-[(phenylmethyl)carbamoyl]phenyl]-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)phenyl]-6-chloro-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-[3-[oxo-[(phenylmethyl)amino]methyl]phenyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(benzylcarbamoyl)phenyl]-6-chloro-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)phenyl]-6-chloro-2-(2-pyridyl)cinchoninamide Formula: C29H21ClN4O2 MolecularWeight: 492.95564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CC=N5

InChI

InChI=1S/C29H21ClN4O2/c30-21-12-13-25-23(16-21)24(17-27(34-25)26-11-4-5-14-31-26)29(36)33-22-10-6-9-20(15-22)28(35)32-18-19-7-2-1-3-8-19/h1-17H,18H2,(H,32,35)(H,33,36)