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

Systemtic Name: N-butyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-butyl-2-[1-(4-isopropylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-butyl-2-[5-methyl-1-(4-propan-2-ylphenyl)-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-butyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-butyl-2-(5-methyl-1-p-cumenyl-pyrazol-4-yl)cinchoninamide Formula: C27H30N4O MolecularWeight: 426.5533

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(N(N=C3)C4=CC=C(C=C4)C(C)C)C

Isomeric SMILES

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(N(N=C3)C4=CC=C(C=C4)C(C)C)C

InChI

InChI=1S/C27H30N4O/c1-5-6-15-28-27(32)23-16-26(30-25-10-8-7-9-22(23)25)24-17-29-31(19(24)4)21-13-11-20(12-14-21)18(2)3/h7-14,16-18H,5-6,15H2,1-4H3,(H,28,32)