6-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)hexanamide

Systemtic Name: 6-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)hexanamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-6-(1,3-dioxo-2-benzo[de]isoquinolinyl)hexanamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-6-(1,3-diketobenzo[de]isoquinolin-2-yl)hexanamide Formula: C31H24N6O3 MolecularWeight: 528.56066

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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)CCCCCN4C(=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)CCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C31H24N6O3/c32-18-22-19-33-37(26-16-15-20-8-3-4-13-25(20)34-26)29(22)35-27(38)14-2-1-5-17-36-30(39)23-11-6-9-21-10-7-12-24(28(21)23)31(36)40/h3-4,6-13,15-16,19H,1-2,5,14,17H2,(H,35,38)