2-(5-chloranyl-2-morpholin-4-yl-phenyl)-4-[[(6-methylpyridin-2-yl)amino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(5-chloranyl-2-morpholin-4-yl-phenyl)-4-[[(6-methylpyridin-2-yl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(5-chloro-2-morpholino-phenyl)-4-[[(6-methyl-2-pyridyl)amino]methylene]isoquinoline-1,3-dione CAS Name: 2-[5-chloro-2-(4-morpholinyl)phenyl]-4-[[(6-methyl-2-pyridinyl)amino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(5-chloro-2-morpholin-4-ylphenyl)-4-[[(6-methylpyridin-2-yl)amino]methylidene]isoquinoline-1,3-dione Traditional Name: 2-(5-chloro-2-morpholino-phenyl)-4-[[(6-methyl-2-pyridyl)amino]methylene]isoquinoline-1,3-quinone Formula: C26H23ClN4O3 MolecularWeight: 474.93882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=C(C=CC(=C4)Cl)N5CCOCC5

Isomeric SMILES

CC1=NC(=CC=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=C(C=CC(=C4)Cl)N5CCOCC5

InChI

InChI=1S/C26H23ClN4O3/c1-17-5-4-8-24(29-17)28-16-21-19-6-2-3-7-20(19)25(32)31(26(21)33)23-15-18(27)9-10-22(23)30-11-13-34-14-12-30/h2-10,15-16H,11-14H2,1H3,(H,28,29)