2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: 2-(1-ethyl-5-methyl-4-pyrazolyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-[1-(2-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]cinchoninamide Formula: C28H27FN6O MolecularWeight: 482.551983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(N(N=C4C)CC5=CC=CC=C5F)C)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(N(N=C4C)CC5=CC=CC=C5F)C)C

InChI

InChI=1S/C28H27FN6O/c1-5-34-18(3)23(15-30-34)26-14-22(21-11-7-9-13-25(21)31-26)28(36)32-27-17(2)33-35(19(27)4)16-20-10-6-8-12-24(20)29/h6-15H,5,16H2,1-4H3,(H,32,36)