N-(5-chloranyl-2-methoxy-phenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[1-(4-ethylphenyl)-5-methyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C29H25ClN4O2 MolecularWeight: 496.9874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=C(C=CC(=C5)Cl)OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=C(C=CC(=C5)Cl)OC)C

InChI

InChI=1S/C29H25ClN4O2/c1-4-19-9-12-21(13-10-19)34-18(2)24(17-31-34)26-16-23(22-7-5-6-8-25(22)32-26)29(35)33-27-15-20(30)11-14-28(27)36-3/h5-17H,4H2,1-3H3,(H,33,35)