4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-thiophen-3-yl-butan-1-one

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-thiophen-3-yl-butan-1-one Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-thienyl)butan-1-one CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-thiophenyl)-1-butanone IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-thiophen-3-ylbutan-1-one Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-thienyl)butan-1-one Formula: C17H19NOS MolecularWeight: 285.40386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCCC(=O)C3=CSC=C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCCC(=O)C3=CSC=C3

InChI

InChI=1S/C17H19NOS/c19-17(16-8-11-20-13-16)6-3-9-18-10-7-14-4-1-2-5-15(14)12-18/h1-2,4-5,8,11,13H,3,6-7,9-10,12H2