2-methyl-3-[4-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1H-pyrazol-5-one

Systemtic Name: 2-methyl-3-[4-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1H-pyrazol-5-one Openeye Name: 2-methyl-3-[4-[3-(1-piperidylmethyl)phenoxy]butylamino]-1H-pyrazol-5-one CAS Name: 2-methyl-3-[4-[3-(1-piperidinylmethyl)phenoxy]butylamino]-1H-pyrazol-5-one IUPAC Name: 2-methyl-3-[4-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1H-pyrazol-5-one Traditional Name: 1-methyl-5-[4-[3-(piperidinomethyl)phenoxy]butylamino]-3-pyrazolin-3-one Formula: C20H30N4O2 MolecularWeight: 358.4778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N1)NCCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CN1C(=CC(=O)N1)NCCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C20H30N4O2/c1-23-19(15-20(25)22-23)21-10-3-6-13-26-18-9-7-8-17(14-18)16-24-11-4-2-5-12-24/h7-9,14-15,21H,2-6,10-13,16H2,1H3,(H,22,25)