6-chloranyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-[(1,5-dimethyl-4-pyrazolyl)methyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-pyridyl)cinchoninamide Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C=NN1C)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C21H18ClN5O/c1-13-15(12-25-27(13)2)11-24-21(28)18-10-20(14-5-7-23-8-6-14)26-19-4-3-16(22)9-17(18)19/h3-10,12H,11H2,1-2H3,(H,24,28)