1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenoxy-butan-1-one

Systemtic Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenoxy-butan-1-one Openeye Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenoxy-butan-1-one CAS Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenoxy-1-butanone IUPAC Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenoxybutan-1-one Traditional Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenoxy-butan-1-one Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCCOC3=CC=CC=C3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCCOC3=CC=CC=C3)C4=CC=CS4)OC

InChI

InChI=1S/C25H27NO4S/c1-28-21-16-18-12-13-26(24(27)11-6-14-30-19-8-4-3-5-9-19)25(23-10-7-15-31-23)20(18)17-22(21)29-2/h3-5,7-10,15-17,25H,6,11-14H2,1-2H3