3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1,3-diketo-4H-isoquinolin-2-yl)propionamide Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O)OC1

InChI

InChI=1S/C21H20N2O5/c24-19(22-15-6-7-17-18(13-15)28-11-3-10-27-17)8-9-23-20(25)12-14-4-1-2-5-16(14)21(23)26/h1-2,4-7,13H,3,8-12H2,(H,22,24)