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

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-p-phenetyl-cinchoninamide Formula: C28H23ClN4O2 MolecularWeight: 482.96082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN(C=C4Cl)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN(C=C4Cl)CC5=CC=CC=C5

InChI

InChI=1S/C28H23ClN4O2/c1-2-35-21-14-12-20(13-15-21)26-16-23(22-10-6-7-11-25(22)30-26)28(34)31-27-24(29)18-33(32-27)17-19-8-4-3-5-9-19/h3-16,18H,2,17H2,1H3,(H,31,32,34)