4-[1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-1-methyl-ethoxy]benzonitrile Formula: C25H24N2O4S MolecularWeight: 448.53406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H24N2O4S/c1-16(31-19-8-6-17(15-26)7-9-19)25(28)27-11-10-18-13-21(29-2)22(30-3)14-20(18)24(27)23-5-4-12-32-23/h4-9,12-14,16,24H,10-11H2,1-3H3