1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitroimidazol-1-yl)ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitroimidazol-1-yl)ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitroimidazol-1-yl)ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitro-1-imidazolyl)ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitroimidazol-1-yl)ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitroimidazol-1-yl)ethanone Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C=C(N=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C=C(N=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H18N4O5/c1-24-13-5-11-3-4-19(7-12(11)6-14(13)25-2)16(21)9-18-8-15(17-10-18)20(22)23/h5-6,8,10H,3-4,7,9H2,1-2H3