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

Systemtic Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C26H27N3O5S MolecularWeight: 493.57468

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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=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C5=CC=CS5)OC

InChI

InChI=1S/C26H27N3O5S/c1-33-22-15-17-9-12-28(25(24-6-5-13-35-24)19(17)16-23(22)34-2)26(30)18-7-8-20(21(14-18)29(31)32)27-10-3-4-11-27/h5-8,13-16,25H,3-4,9-12H2,1-2H3