1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxy-ethanone Openeye Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxy-ethanone CAS Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxyethanone IUPAC Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxyethanone Traditional Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxy-ethanone Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)COC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)COC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H24N2O6/c1-31-22-14-17-11-12-26(24(28)16-33-20-9-4-3-5-10-20)25(21(17)15-23(22)32-2)18-7-6-8-19(13-18)27(29)30/h3-10,13-15,25H,11-12,16H2,1-2H3