1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-nitrophenyl)amino]propan-1-one

Systemtic Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-nitrophenyl)amino]propan-1-one Openeye Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(2-nitroanilino)propan-1-one CAS Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-nitroanilino)-1-propanone IUPAC Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-nitroanilino)propan-1-one Traditional Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(2-nitroanilino)propan-1-one Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C4=CC=CS4)OC

InChI

InChI=1S/C24H25N3O5S/c1-31-20-14-16-10-12-26(24(22-8-5-13-33-22)17(16)15-21(20)32-2)23(28)9-11-25-18-6-3-4-7-19(18)27(29)30/h3-8,13-15,24-25H,9-12H2,1-2H3