N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O4/c1-2-20(24)23-10-9-14-7-8-16(11-15(14)12-23)22-21(25)19-13-26-17-5-3-4-6-18(17)27-19/h3-8,11,19H,2,9-10,12-13H2,1H3,(H,22,25)