6-chloranyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-chloro-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-[3-(1-pyrazolylmethyl)phenyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-chloro-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(3-pyridyl)cinchoninamide Formula: C25H18ClN5O MolecularWeight: 439.89632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)CN5C=CC=N5

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)CN5C=CC=N5

InChI

InChI=1S/C25H18ClN5O/c26-19-7-8-23-21(13-19)22(14-24(30-23)18-5-2-9-27-15-18)25(32)29-20-6-1-4-17(12-20)16-31-11-3-10-28-31/h1-15H,16H2,(H,29,32)