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

Systemtic Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-2-(1,3-dimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[1-(2-chlorobenzyl)pyrazol-4-yl]-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=CN(N=C4)CC5=CC=CC=C5Cl)C

Isomeric SMILES

CC1=NN(C=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CN(N=C4)CC5=CC=CC=C5Cl)C

InChI

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