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

Systemtic Name: N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2-(1-ethylpyrazol-4-yl)cinchoninamide Formula: C27H25BrN6O MolecularWeight: 529.431

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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

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

InChI

InChI=1S/C27H25BrN6O/c1-4-33-16-20(14-29-33)25-13-23(22-10-5-6-11-24(22)31-25)27(35)30-21-9-7-8-19(12-21)15-34-18(3)26(28)17(2)32-34/h5-14,16H,4,15H2,1-3H3,(H,30,35)