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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4)C5=CC=C(C=C5)CC)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4)C5=CC=C(C=C5)CC)C

InChI

InChI=1S/C31H30N4O/c1-4-22-10-12-24(13-11-22)19-32-31(36)27-18-30(34-29-9-7-6-8-26(27)29)28-20-33-35(21(28)3)25-16-14-23(5-2)15-17-25/h6-18,20H,4-5,19H2,1-3H3,(H,32,36)