2-[6-[3-(piperidin-1-ylmethyl)phenoxy]hexyl]-1H-pyrazol-5-one

Systemtic Name: 2-[6-[3-(piperidin-1-ylmethyl)phenoxy]hexyl]-1H-pyrazol-5-one Openeye Name: 2-[6-[3-(1-piperidylmethyl)phenoxy]hexyl]-1H-pyrazol-5-one CAS Name: 2-[6-[3-(1-piperidinylmethyl)phenoxy]hexyl]-1H-pyrazol-5-one IUPAC Name: 2-[6-[3-(piperidin-1-ylmethyl)phenoxy]hexyl]-1H-pyrazol-5-one Traditional Name: 1-[6-[3-(piperidinomethyl)phenoxy]hexyl]-3-pyrazolin-3-one Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCCCCN3C=CC(=O)N3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCCCCN3C=CC(=O)N3

InChI

InChI=1S/C21H31N3O2/c25-21-11-15-24(22-21)14-6-1-2-7-16-26-20-10-8-9-19(17-20)18-23-12-4-3-5-13-23/h8-11,15,17H,1-7,12-14,16,18H2,(H,22,25)