N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-(1-ethyl-5-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)cinchoninamide Formula: C26H23ClN6O MolecularWeight: 470.95342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN(C=C4Cl)CC5=CC=CC=C5)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN(C=C4Cl)CC5=CC=CC=C5)C

InChI

InChI=1S/C26H23ClN6O/c1-3-33-17(2)21(14-28-33)24-13-20(19-11-7-8-12-23(19)29-24)26(34)30-25-22(27)16-32(31-25)15-18-9-5-4-6-10-18/h4-14,16H,3,15H2,1-2H3,(H,30,31,34)