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

Systemtic Name: 2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)ethanamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-2-(1,3-dioxo-2-benzo[de]isoquinolinyl)acetamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(1,3-diketobenzo[de]isoquinolin-2-yl)acetamide Formula: C27H16N6O3 MolecularWeight: 472.45434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)CN4C(=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)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C27H16N6O3/c28-13-18-14-29-33(22-12-11-16-5-1-2-10-21(16)30-22)25(18)31-23(34)15-32-26(35)19-8-3-6-17-7-4-9-20(24(17)19)27(32)36/h1-12,14H,15H2,(H,31,34)