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

Systemtic Name: 2-methyl-3-[6-[3-(piperidin-1-ylmethyl)phenoxy]hexylamino]-1H-pyrazol-5-one Openeye Name: 2-methyl-3-[6-[3-(1-piperidylmethyl)phenoxy]hexylamino]-1H-pyrazol-5-one CAS Name: 2-methyl-3-[6-[3-(1-piperidinylmethyl)phenoxy]hexylamino]-1H-pyrazol-5-one IUPAC Name: 2-methyl-3-[6-[3-(piperidin-1-ylmethyl)phenoxy]hexylamino]-1H-pyrazol-5-one Traditional Name: 1-methyl-5-[6-[3-(piperidinomethyl)phenoxy]hexylamino]-3-pyrazolin-3-one Formula: C22H34N4O2 MolecularWeight: 386.53096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N1)NCCCCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CN1C(=CC(=O)N1)NCCCCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C22H34N4O2/c1-25-21(17-22(27)24-25)23-12-5-2-3-8-15-28-20-11-9-10-19(16-20)18-26-13-6-4-7-14-26/h9-11,16-17,23H,2-8,12-15,18H2,1H3,(H,24,27)