1-[(2S)-3-[4-methoxy-2-[(2-pyrazol-1-ylethylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidin-4-ol

Systemtic Name: 1-[(2S)-3-[4-methoxy-2-[(2-pyrazol-1-ylethylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidin-4-ol Openeye Name: 1-[(2S)-2-hydroxy-3-[4-methoxy-2-[(2-pyrazol-1-ylethylamino)methyl]phenoxy]propyl]piperidin-4-ol CAS Name: 1-[(2S)-2-hydroxy-3-[4-methoxy-2-[[2-(1-pyrazolyl)ethylamino]methyl]phenoxy]propyl]-4-piperidinol IUPAC Name: 1-[(2S)-2-hydroxy-3-[4-methoxy-2-[(2-pyrazol-1-ylethylamino)methyl]phenoxy]propyl]piperidin-4-ol Traditional Name: 1-[(2S)-2-hydroxy-3-[4-methoxy-2-[(2-pyrazol-1-ylethylamino)methyl]phenoxy]propyl]piperidin-4-ol Formula: C21H32N4O4 MolecularWeight: 404.50318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(CN2CCC(CC2)O)O)CNCCN3C=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@H](CN2CCC(CC2)O)O)CNCCN3C=CC=N3

InChI

InChI=1S/C21H32N4O4/c1-28-20-3-4-21(17(13-20)14-22-8-12-25-9-2-7-23-25)29-16-19(27)15-24-10-5-18(26)6-11-24/h2-4,7,9,13,18-19,22,26-27H,5-6,8,10-12,14-16H2,1H3/t19-/m0/s1