2-(1-benzothiophen-4-yl)-1-[5-methoxy-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Systemtic Name: 2-(1-benzothiophen-4-yl)-1-[5-methoxy-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 2-(benzothiophen-4-yl)-1-[5-methoxy-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2-(1-benzothiophen-4-yl)-1-[5-methoxy-1-(1-pyrrolidinylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 2-(1-benzothiophen-4-yl)-1-[5-methoxy-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 2-(benzothiophen-4-yl)-1-[5-methoxy-1-(pyrrolidinomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CCN(C2CN3CCCC3)C(=O)CC4=C5C=CSC5=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1CCN(C2CN3CCCC3)C(=O)CC4=C5C=CSC5=CC=C4

InChI

InChI=1S/C25H28N2O2S/c1-29-23-8-5-7-20-21(23)10-14-27(22(20)17-26-12-2-3-13-26)25(28)16-18-6-4-9-24-19(18)11-15-30-24/h4-9,11,15,22H,2-3,10,12-14,16-17H2,1H3