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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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