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

Systemtic Name: 1-[(2S)-2-oxidanyl-3-[3-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propyl]piperidin-4-ol Openeye Name: 1-[(2S)-2-hydroxy-3-[3-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propyl]piperidin-4-ol CAS Name: 1-[(2S)-2-hydroxy-3-[3-[[3-(1-pyrazolyl)propylamino]methyl]phenoxy]propyl]-4-piperidinol IUPAC Name: 1-[(2S)-2-hydroxy-3-[3-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propyl]piperidin-4-ol Traditional Name: 1-[(2S)-2-hydroxy-3-[3-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propyl]piperidin-4-ol Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CC(COC2=CC=CC(=C2)CNCCCN3C=CC=N3)O

Isomeric SMILES

C1CN(CCC1O)C[C@@H](COC2=CC=CC(=C2)CNCCCN3C=CC=N3)O

InChI

InChI=1S/C21H32N4O3/c26-19-6-12-24(13-7-19)16-20(27)17-28-21-5-1-4-18(14-21)15-22-8-2-10-25-11-3-9-23-25/h1,3-5,9,11,14,19-20,22,26-27H,2,6-8,10,12-13,15-17H2/t20-/m0/s1