4-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzonitrile CAS Name: 4-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzonitrile Traditional Name: 4-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzonitrile Formula: C23H20N2O3S MolecularWeight: 404.4815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)C3=CC=C(C=C3)C#N)C4=CC=CS4)OC

InChI

InChI=1S/C23H20N2O3S/c1-27-19-12-17-9-10-25(23(26)16-7-5-15(14-24)6-8-16)22(21-4-3-11-29-21)18(17)13-20(19)28-2/h3-8,11-13,22H,9-10H2,1-2H3/t22-/m0/s1