6-bromanyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[(1,3-dimethyl-4-pyrazolyl)methyl]-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(p-tolyl)cinchoninamide Formula: C23H21BrN4O MolecularWeight: 449.34304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CN(N=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CN(N=C4C)C

InChI

InChI=1S/C23H21BrN4O/c1-14-4-6-16(7-5-14)22-11-20(19-10-18(24)8-9-21(19)26-22)23(29)25-12-17-13-28(3)27-15(17)2/h4-11,13H,12H2,1-3H3,(H,25,29)