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

Systemtic Name: N-[1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)cinchoninamide Formula: C27H32N4O MolecularWeight: 428.56918

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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=C6)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O/c1-3-25(27-12-17-8-18(13-27)10-19(9-17)14-27)30-26(32)22-11-24(20-15-28-31(2)16-20)29-23-7-5-4-6-21(22)23/h4-7,11,15-19,25H,3,8-10,12-14H2,1-2H3,(H,30,32)