N-[4-(1-adamantyl)phenyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-(4-pyridyl)cinchoninamide Formula: C31H29N3O MolecularWeight: 459.58146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC=NC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC=NC=C7

InChI

InChI=1S/C31H29N3O/c35-30(27-16-29(23-9-11-32-12-10-23)34-28-4-2-1-3-26(27)28)33-25-7-5-24(6-8-25)31-17-20-13-21(18-31)15-22(14-20)19-31/h1-12,16,20-22H,13-15,17-19H2,(H,33,35)