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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-2-(1,3-dimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[1-(4-chlorobenzyl)pyrazol-3-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=NN(C=C4)CC5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1=NN(C=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN(C=C4)CC5=CC=C(C=C5)Cl)C

InChI

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