N-[1-(1-adamantyl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C29H36N4O MolecularWeight: 456.62234

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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=C(N(N=C6C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O/c1-5-26(29-14-19-10-20(15-29)12-21(11-19)16-29)31-28(34)23-13-25(27-17(2)32-33(4)18(27)3)30-24-9-7-6-8-22(23)24/h6-9,13,19-21,26H,5,10-12,14-16H2,1-4H3,(H,31,34)