2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-(3-phenylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-(3-phenylpropyl)quinoline-4-carboxamide Openeye Name: 2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-(3-phenylpropyl)quinoline-4-carboxamide CAS Name: 2-[1-(4-ethylphenyl)-5-methyl-4-pyrazolyl]-N-(3-phenylpropyl)-4-quinolinecarboxamide IUPAC Name: 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(3-phenylpropyl)quinoline-4-carboxamide Traditional Name: 2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-(3-phenylpropyl)cinchoninamide Formula: C31H30N4O MolecularWeight: 474.5961

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)NCCCC5=CC=CC=C5)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCCC5=CC=CC=C5)C

InChI

InChI=1S/C31H30N4O/c1-3-23-15-17-25(18-16-23)35-22(2)28(21-33-35)30-20-27(26-13-7-8-14-29(26)34-30)31(36)32-19-9-12-24-10-5-4-6-11-24/h4-8,10-11,13-18,20-21H,3,9,12,19H2,1-2H3,(H,32,36)