3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-phenoxyphenyl)methyl]-3-piperidyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-phenoxyphenyl)methyl]-3-piperidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-phenoxybenzyl)-3-piperidyl]methanone Formula: C28H30N2O2 MolecularWeight: 426.55

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC(CN(C1)CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H30N2O2/c31-28(30-17-15-23-9-4-5-10-24(23)21-30)25-11-7-16-29(20-25)19-22-8-6-14-27(18-22)32-26-12-2-1-3-13-26/h1-6,8-10,12-14,18,25H,7,11,15-17,19-21H2