6-[(3S)-1-phenacylpiperidin-3-yl]oxy-2H-isoquinolin-1-one

Systemtic Name: 6-[(3S)-1-phenacylpiperidin-3-yl]oxy-2H-isoquinolin-1-one Openeye Name: 6-[[(3S)-1-phenacyl-3-piperidyl]oxy]-2H-isoquinolin-1-one CAS Name: 6-[[(3S)-1-phenacyl-3-piperidinyl]oxy]-2H-isoquinolin-1-one IUPAC Name: 6-[(3S)-1-phenacylpiperidin-3-yl]oxy-2H-isoquinolin-1-one Traditional Name: 6-[[(3S)-1-phenacyl-3-piperidyl]oxy]isocarbostyril Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)C2=CC=CC=C2)OC3=CC4=C(C=C3)C(=O)NC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)CC(=O)C2=CC=CC=C2)OC3=CC4=C(C=C3)C(=O)NC=C4

InChI

InChI=1S/C22H22N2O3/c25-21(16-5-2-1-3-6-16)15-24-12-4-7-19(14-24)27-18-8-9-20-17(13-18)10-11-23-22(20)26/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2,(H,23,26)/t19-/m0/s1