N-[1-(4-butan-2-ylphenyl)propyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[1-(4-sec-butylphenyl)propyl]quinoline-4-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-2-(1,3-dimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[1-(4-sec-butylphenyl)propyl]cinchoninamide Formula: C28H32N4O MolecularWeight: 440.57988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4C)C

InChI

InChI=1S/C28H32N4O/c1-6-18(3)20-12-14-21(15-13-20)25(7-2)30-28(33)23-16-27(24-17-32(5)31-19(24)4)29-26-11-9-8-10-22(23)26/h8-18,25H,6-7H2,1-5H3,(H,30,33)