3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)propanamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propanamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-3-(1,3-diketobenzo[de]isoquinolin-2-yl)propionamide Formula: C28H18N6O3 MolecularWeight: 486.48092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C28H18N6O3/c29-15-19-16-30-34(23-12-11-17-5-1-2-10-22(17)31-23)26(19)32-24(35)13-14-33-27(36)20-8-3-6-18-7-4-9-21(25(18)20)28(33)37/h1-12,16H,13-14H2,(H,32,35)