2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(4-butylphenyl)ethanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(4-butylphenyl)ethanamide Openeye Name: N-(4-butylphenyl)-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide CAS Name: N-(4-butylphenyl)-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide IUPAC Name: N-(4-butylphenyl)-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide Traditional Name: N-(4-butylphenyl)-2-(1,3-diketo-4H-isoquinolin-2-yl)acetamide Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O3/c1-2-3-6-15-9-11-17(12-10-15)22-19(24)14-23-20(25)13-16-7-4-5-8-18(16)21(23)26/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,22,24)