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

Systemtic Name: N-[(4-ethylphenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-(4-ethylbenzyl)-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C29H25FN4O MolecularWeight: 464.533403

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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)F)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)F)C

InChI

InChI=1S/C29H25FN4O/c1-3-20-8-10-21(11-9-20)17-31-29(35)25-16-28(33-27-7-5-4-6-24(25)27)26-18-32-34(19(26)2)23-14-12-22(30)13-15-23/h4-16,18H,3,17H2,1-2H3,(H,31,35)