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

Systemtic Name: (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C28H29N3O5 MolecularWeight: 487.54696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C5=CC=CC=C5)OC

InChI

InChI=1S/C28H29N3O5/c1-35-25-17-20-12-15-30(27(19-8-4-3-5-9-19)22(20)18-26(25)36-2)28(32)21-10-11-23(24(16-21)31(33)34)29-13-6-7-14-29/h3-5,8-11,16-18,27H,6-7,12-15H2,1-2H3