(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H25N3O5/c1-29-20-12-15-7-10-24(14-17(15)13-21(20)30-2)22(26)16-5-6-18(19(11-16)25(27)28)23-8-3-4-9-23/h5-6,11-13H,3-4,7-10,14H2,1-2H3