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

Systemtic Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-nitrophenyl)methanone Openeye Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-nitrophenyl)methanone CAS Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-nitrophenyl)methanone IUPAC Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-nitrophenyl)methanone Traditional Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-nitrophenyl)methanone Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4)OC

InChI

InChI=1S/C22H20N2O5S/c1-28-18-12-14-8-9-23(22(25)15-5-3-6-16(11-15)24(26)27)21(20-7-4-10-30-20)17(14)13-19(18)29-2/h3-7,10-13,21H,8-9H2,1-2H3