N-butyl-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: N-butyl-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-butyl-6-methyl-2-[5-methyl-1-(p-tolyl)pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-butyl-6-methyl-2-[5-methyl-1-(4-methylphenyl)-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-butyl-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-butyl-6-methyl-2-[5-methyl-1-(p-tolyl)pyrazol-4-yl]cinchoninamide Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=C(N(N=C3)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=C(N(N=C3)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C26H28N4O/c1-5-6-13-27-26(31)22-15-25(29-24-12-9-18(3)14-21(22)24)23-16-28-30(19(23)4)20-10-7-17(2)8-11-20/h7-12,14-16H,5-6,13H2,1-4H3,(H,27,31)