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

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (4-chloro-3-nitrophenyl)-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (4-chloro-3-nitro-phenyl)-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O5S/c1-29-18-11-13-7-8-24(22(26)14-5-6-16(23)17(10-14)25(27)28)21(20-4-3-9-31-20)15(13)12-19(18)30-2/h3-6,9-12,21H,7-8H2,1-2H3