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

Systemtic Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-butan-1-one Openeye Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenyl-butan-1-one CAS Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-1-butanone IUPAC Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylbutan-1-one Traditional Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenyl-butan-1-one Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H27NO3S/c1-17(18-8-5-4-6-9-18)14-24(27)26-12-11-19-15-21(28-2)22(29-3)16-20(19)25(26)23-10-7-13-30-23/h4-10,13,15-17,25H,11-12,14H2,1-3H3