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

Systemtic Name: N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-2-(1-ethyl-5-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)cinchoninamide Formula: C28H27BrN6O MolecularWeight: 543.45758

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=CC=CC(=C4)CN5C(=C(C(=N5)C)Br)C)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC(=C4)CN5C(=C(C(=N5)C)Br)C)C

InChI

InChI=1S/C28H27BrN6O/c1-5-34-18(3)24(15-30-34)26-14-23(22-11-6-7-12-25(22)32-26)28(36)31-21-10-8-9-20(13-21)16-35-19(4)27(29)17(2)33-35/h6-15H,5,16H2,1-4H3,(H,31,36)