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

Systemtic Name: 2-methyl-3-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]butylamino]-1H-pyrazol-5-one Openeye Name: 2-methyl-3-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]butylamino]-1H-pyrazol-5-one CAS Name: 2-methyl-3-[4-[3-(1-pyrrolidinylmethyl)phenoxy]butylamino]-1H-pyrazol-5-one IUPAC Name: 2-methyl-3-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]butylamino]-1H-pyrazol-5-one Traditional Name: 1-methyl-5-[4-[3-(pyrrolidinomethyl)phenoxy]butylamino]-3-pyrazolin-3-one Formula: C19H28N4O2 MolecularWeight: 344.45122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N1)NCCCCOC2=CC=CC(=C2)CN3CCCC3

Isomeric SMILES

CN1C(=CC(=O)N1)NCCCCOC2=CC=CC(=C2)CN3CCCC3

InChI

InChI=1S/C19H28N4O2/c1-22-18(14-19(24)21-22)20-9-2-5-12-25-17-8-6-7-16(13-17)15-23-10-3-4-11-23/h6-8,13-14,20H,2-5,9-12,15H2,1H3,(H,21,24)