N-(1-cyanocyclohexyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-acetamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CN1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)CN1CCC2=CC(=C(C=C2[C@H]1C3=CC=CS3)OC)OC)C4(CCCCC4)C#N

InChI

InChI=1S/C25H31N3O3S/c1-27(25(17-26)10-5-4-6-11-25)23(29)16-28-12-9-18-14-20(30-2)21(31-3)15-19(18)24(28)22-8-7-13-32-22/h7-8,13-15,24H,4-6,9-12,16H2,1-3H3/t24-/m0/s1