N-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]-2-(1,3-dimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(1,3-dimethylpyrazol-4-yl)cinchoninamide Formula: C25H21ClN6O MolecularWeight: 456.92684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC(=C4)CN5C=C(C=N5)Cl)C

Isomeric SMILES

CC1=NN(C=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC(=C4)CN5C=C(C=N5)Cl)C

InChI

InChI=1S/C25H21ClN6O/c1-16-22(15-31(2)30-16)24-11-21(20-8-3-4-9-23(20)29-24)25(33)28-19-7-5-6-17(10-19)13-32-14-18(26)12-27-32/h3-12,14-15H,13H2,1-2H3,(H,28,33)