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

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-heptan-2-yl-butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1-methylhexyl)butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-heptan-2-ylbutanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-heptan-2-ylbutanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-(1-methylhexyl)butyramide Formula: C23H28N2O3 MolecularWeight: 380.48002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

Isomeric SMILES

CCCCCC(C)NC(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

InChI

InChI=1S/C23H28N2O3/c1-3-4-5-9-16(2)24-20(26)14-8-15-25-22(27)18-12-6-10-17-11-7-13-19(21(17)18)23(25)28/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,24,26)