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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC(=C4)CN5C(=C(C(=N5)C)Br)C

Isomeric SMILES

CC1=C(C=NN1C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC(=C4)CN5C(=C(C(=N5)C)Br)C

InChI

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