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

Systemtic Name: 6-bromanyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide Openeye Name: 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide Traditional Name: 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-2-(p-tolyl)cinchoninamide Formula: C22H19BrN4O MolecularWeight: 435.31646

Click to see the large picture

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=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CN(N=C4)C

InChI

InChI=1S/C22H19BrN4O/c1-14-3-5-16(6-4-14)21-10-19(18-9-17(23)7-8-20(18)26-21)22(28)24-11-15-12-25-27(2)13-15/h3-10,12-13H,11H2,1-2H3,(H,24,28)