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

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)butanamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-(1,3-diketobenzo[de]isoquinolin-2-yl)butyramide Formula: C29H20N6O3 MolecularWeight: 500.5075

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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)CCCN4C(=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)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C29H20N6O3/c30-16-20-17-31-35(24-14-13-18-6-1-2-11-23(18)32-24)27(20)33-25(36)12-5-15-34-28(37)21-9-3-7-19-8-4-10-22(26(19)21)29(34)38/h1-4,6-11,13-14,17H,5,12,15H2,(H,33,36)