N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide CAS Name: N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCCCO4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCCCO4)OC

InChI

InChI=1S/C23H27N3O6/c1-29-19-10-15-6-7-26(13-16(15)11-20(19)30-2)14-22(27)25-23(28)24-17-4-5-18-21(12-17)32-9-3-8-31-18/h4-5,10-12H,3,6-9,13-14H2,1-2H3,(H2,24,25,27,28)