[(3S)-3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]methyl]piperidin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [(3S)-3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]methyl]piperidin-1-yl]-pyridin-3-yl-methanone Openeye Name: [(3S)-3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]methyl]-1-piperidyl]-(3-pyridyl)methanone CAS Name: [(3S)-3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]methyl]-1-piperidinyl]-(3-pyridinyl)methanone IUPAC Name: [(3S)-3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]methyl]piperidin-1-yl]-pyridin-3-ylmethanone Traditional Name: [(3S)-3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]methyl]piperidino]-(3-pyridyl)methanone Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CN=CC=C2)COC3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CN=CC=C2)COC3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H31N3O2/c32-28(25-8-3-14-29-17-25)31-15-4-5-23(19-31)21-33-27-11-9-22(10-12-27)18-30-16-13-24-6-1-2-7-26(24)20-30/h1-3,6-12,14,17,23H,4-5,13,15-16,18-21H2/t23-/m0/s1