6-chloranyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-[(1,3-dimethyl-4-pyrazolyl)methyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-pyridyl)cinchoninamide Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)C

InChI

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