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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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