N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H22N2O4/c1-15(25)24-10-9-16-5-2-3-6-18(16)19(24)14-22(26)23-17-7-8-20-21(13-17)28-12-4-11-27-20/h2-3,5-10,13,19H,4,11-12,14H2,1H3,(H,23,26)