5-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one

Systemtic Name: 5-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C(=O)CCOC4=CC=CC=C43)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C(=O)CCOC4=CC=CC=C43)C5=CC=CS5)OC

InChI

InChI=1S/C26H26N2O5S/c1-31-21-14-17-9-11-27(26(23-8-5-13-34-23)18(17)15-22(21)32-2)25(30)16-28-19-6-3-4-7-20(19)33-12-10-24(28)29/h3-8,13-15,26H,9-12,16H2,1-2H3