N-[1-(4-butan-2-ylphenyl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: 2-(1-methylpyrazol-4-yl)-N-[1-(4-sec-butylphenyl)propyl]quinoline-4-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: 2-(1-methylpyrazol-4-yl)-N-[1-(4-sec-butylphenyl)propyl]cinchoninamide Formula: C27H30N4O MolecularWeight: 426.5533

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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=C4)C

Isomeric SMILES

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

InChI

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