5-phenyl-1-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one

Systemtic Name: 5-phenyl-1-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one Openeye Name: 5-phenyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one CAS Name: 1-[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-phenyl-1-pentanone IUPAC Name: 5-phenyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one Traditional Name: 5-phenyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one Formula: C25H30N2O2 MolecularWeight: 390.5179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2C(=O)CCCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)CCCCC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O2/c28-24(15-7-4-12-20-10-2-1-3-11-20)27-19-22-14-6-5-13-21(22)18-23(27)25(29)26-16-8-9-17-26/h1-3,5-6,10-11,13-14,23H,4,7-9,12,15-19H2/t23-/m0/s1