6-bromanyl-N-methyl-2-(4-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-methyl-2-(4-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide Openeye Name: 6-bromo-N-methyl-2-(p-tolyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide CAS Name: 6-bromo-N-methyl-2-(4-methylphenyl)-N-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-methyl-2-(4-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide Traditional Name: 6-bromo-N-methyl-2-(p-tolyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cinchoninamide Formula: C25H25BrN4O MolecularWeight: 477.3962

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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)N(C)CC4=C(N(N=C4C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N(C)CC4=C(N(N=C4C)C)C

InChI

InChI=1S/C25H25BrN4O/c1-15-6-8-18(9-7-15)24-13-21(20-12-19(26)10-11-23(20)27-24)25(31)29(4)14-22-16(2)28-30(5)17(22)3/h6-13H,14H2,1-5H3