(E)-1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidino]-3-(2-thienyl)prop-2-en-1-one Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)C(=O)C=CC4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)C(=O)/C=C/C4=CC=CS4)OC

InChI

InChI=1S/C23H28N2O3S/c1-27-21-13-17-9-11-24(15-18(17)14-22(21)28-2)19-5-3-10-25(16-19)23(26)8-7-20-6-4-12-29-20/h4,6-8,12-14,19H,3,5,9-11,15-16H2,1-2H3/b8-7+