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

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(3-ethynylphenyl)butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(3-ethynylphenyl)butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-(3-ethynylphenyl)butanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(3-ethynylphenyl)butanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-(3-ethynylphenyl)butyramide Formula: C24H18N2O3 MolecularWeight: 382.41132

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C24H18N2O3/c1-2-16-7-3-10-18(15-16)25-21(27)13-6-14-26-23(28)19-11-4-8-17-9-5-12-20(22(17)19)24(26)29/h1,3-5,7-12,15H,6,13-14H2,(H,25,27)