N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-(3-pyridyl)cinchoninamide Formula: C24H20N6O2 MolecularWeight: 424.4546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C24H20N6O2/c31-23-15-30(11-10-26-23)22-8-7-17(14-27-22)28-24(32)19-12-21(16-4-3-9-25-13-16)29-20-6-2-1-5-18(19)20/h1-9,12-14H,10-11,15H2,(H,26,31)(H,28,32)