1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-[(5-nitrofuran-2-yl)methylamino]butan-1-one

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-[(5-nitrofuran-2-yl)methylamino]butan-1-one Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-[(5-nitro-2-furyl)methylamino]butan-1-one CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-[(5-nitro-2-furanyl)methylamino]-1-butanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-[(5-nitrofuran-2-yl)methylamino]butan-1-one Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-[(5-nitro-2-furyl)methylamino]butan-1-one Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O6/c1-22(2,3)20(23-12-16-6-7-19(31-16)25(27)28)21(26)24-9-8-14-10-17(29-4)18(30-5)11-15(14)13-24/h6-7,10-11,20,23H,8-9,12-13H2,1-5H3