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

Systemtic Name: N-(2-adamantyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(2-adamantyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(2-adamantyl)-2-(1,3-dimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(2-adamantyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(2-adamantyl)-2-(1,3-dimethylpyrazol-4-yl)cinchoninamide Formula: C25H28N4O MolecularWeight: 400.51602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4C5CC6CC(C5)CC4C6)C

Isomeric SMILES

CC1=NN(C=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4C5CC6CC(C5)CC4C6)C

InChI

InChI=1S/C25H28N4O/c1-14-21(13-29(2)28-14)23-12-20(19-5-3-4-6-22(19)26-23)25(30)27-24-17-8-15-7-16(10-17)11-18(24)9-15/h3-6,12-13,15-18,24H,7-11H2,1-2H3,(H,27,30)