2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C22H23N3OS MolecularWeight: 377.50252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)N2CCC3=CC=CC=C3C2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(N(C1)CC(=O)N2CCC3=CC=CC=C3C2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H23N3OS/c26-21(25-13-11-16-6-1-2-7-17(16)14-25)15-24-12-5-9-19(24)22-23-18-8-3-4-10-20(18)27-22/h1-4,6-8,10,19H,5,9,11-15H2