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

Systemtic Name: N-[1-(1-adamantyl)propyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-2-(1,3-dimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-2-(1,3-dimethylpyrazol-4-yl)cinchoninamide Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CN(N=C6C)C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CN(N=C6C)C

InChI

InChI=1S/C28H34N4O/c1-4-26(28-13-18-9-19(14-28)11-20(10-18)15-28)30-27(33)22-12-25(23-16-32(3)31-17(23)2)29-24-8-6-5-7-21(22)24/h5-8,12,16,18-20,26H,4,9-11,13-15H2,1-3H3,(H,30,33)