1-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]carbonyl]phenyl]piperidin-2-one

Systemtic Name: 1-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]carbonyl]phenyl]piperidin-2-one Openeye Name: 1-[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]piperidin-2-one CAS Name: 1-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-oxomethyl]phenyl]-2-piperidinone IUPAC Name: 1-[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]piperidin-2-one Traditional Name: 1-[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]-2-piperidone Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)C(=O)C3=CC=C(C=C3)N4CCCCC4=O

Isomeric SMILES

C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)C3=CC=C(C=C3)N4CCCCC4=O

InChI

InChI=1S/C21H28N2O2/c24-20-7-3-4-13-23(20)19-10-8-17(9-11-19)21(25)22-14-12-16-5-1-2-6-18(16)15-22/h8-11,16,18H,1-7,12-15H2/t16-,18-/m1/s1