(2S)-1-[3-(azepan-1-ylmethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

Systemtic Name: (2S)-1-[3-(azepan-1-ylmethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol Openeye Name: (2S)-1-[3-(azepan-1-ylmethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol CAS Name: (2S)-1-[3-(1-azepanylmethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-propanol IUPAC Name: (2S)-1-[3-(azepan-1-ylmethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol Traditional Name: (2S)-1-[3-(azepan-1-ylmethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC(=CC=C2)OCC(CN3CCC4=CC=CC=C4C3)O

Isomeric SMILES

C1CCCN(CC1)CC2=CC(=CC=C2)OC[C@H](CN3CCC4=CC=CC=C4C3)O

InChI

InChI=1S/C25H34N2O2/c28-24(19-27-15-12-22-9-3-4-10-23(22)18-27)20-29-25-11-7-8-21(16-25)17-26-13-5-1-2-6-14-26/h3-4,7-11,16,24,28H,1-2,5-6,12-15,17-20H2/t24-/m0/s1