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

Systemtic Name: 1-[6,7-dimethoxy-3-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Openeye Name: 1-[6,7-dimethoxy-3-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one CAS Name: 1-[6,7-dimethoxy-3-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 1-[6,7-dimethoxy-3-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Traditional Name: 1-[6,7-dimethoxy-3-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC2=CC(=C(C=C2CC1C3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCC(=O)N1CC2=CC(=C(C=C2CC1C3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H22N2O5/c1-4-20(23)21-12-15-11-19(27-3)18(26-2)10-14(15)9-17(21)13-5-7-16(8-6-13)22(24)25/h5-8,10-11,17H,4,9,12H2,1-3H3