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

Systemtic Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methyl-4-nitrophenyl)methanone IUPAC Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methyl-4-nitrophenyl)methanone Traditional Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methyl-4-nitro-phenyl)methanone Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O5S/c1-14-11-16(6-7-18(14)25(27)28)23(26)24-9-8-15-12-19(29-2)20(30-3)13-17(15)22(24)21-5-4-10-31-21/h4-7,10-13,22H,8-9H2,1-3H3