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

Systemtic Name: 2-methyl-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-pyrazol-5-one Openeye Name: 2-methyl-3-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]-1H-pyrazol-5-one CAS Name: 2-methyl-3-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]-1H-pyrazol-5-one IUPAC Name: 2-methyl-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-pyrazol-5-one Traditional Name: 1-methyl-5-[3-[3-(piperidinomethyl)phenoxy]propylamino]-3-pyrazolin-3-one Formula: C19H28N4O2 MolecularWeight: 344.45122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N1)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CN1C(=CC(=O)N1)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C19H28N4O2/c1-22-18(14-19(24)21-22)20-9-6-12-25-17-8-5-7-16(13-17)15-23-10-3-2-4-11-23/h5,7-8,13-14,20H,2-4,6,9-12,15H2,1H3,(H,21,24)