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

Systemtic Name: N-butyl-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-butyl-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-butyl-2-[1-(4-ethylphenyl)-5-methyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-butyl-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-butyl-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C26H28N4O MolecularWeight: 412.52672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(N(N=C3)C4=CC=C(C=C4)CC)C

Isomeric SMILES

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(N(N=C3)C4=CC=C(C=C4)CC)C

InChI

InChI=1S/C26H28N4O/c1-4-6-15-27-26(31)22-16-25(29-24-10-8-7-9-21(22)24)23-17-28-30(18(23)3)20-13-11-19(5-2)12-14-20/h7-14,16-17H,4-6,15H2,1-3H3,(H,27,31)