1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-pyrrol-1-ylthiazol-4-yl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(1-pyrrolyl)-4-thiazolyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-pyrrol-1-ylthiazol-4-yl)ethanone Formula: C18H17N3OS MolecularWeight: 323.41208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC3=CSC(=N3)N4C=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CC3=CSC(=N3)N4C=CC=C4

InChI

InChI=1S/C18H17N3OS/c22-17(21-10-7-14-5-1-2-6-15(14)12-21)11-16-13-23-18(19-16)20-8-3-4-9-20/h1-6,8-9,13H,7,10-12H2