N-[4-(3-methylbutanoylamino)phenyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-2-(3-pyridyl)cinchoninamide Formula: C26H24N4O2 MolecularWeight: 424.49436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C26H24N4O2/c1-17(2)14-25(31)28-19-9-11-20(12-10-19)29-26(32)22-15-24(18-6-5-13-27-16-18)30-23-8-4-3-7-21(22)23/h3-13,15-17H,14H2,1-2H3,(H,28,31)(H,29,32)