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

Systemtic Name: 2-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]butyl]-1H-pyrazol-5-one Openeye Name: 2-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]butyl]-1H-pyrazol-5-one CAS Name: 2-[4-[3-(1-pyrrolidinylmethyl)phenoxy]butyl]-1H-pyrazol-5-one IUPAC Name: 2-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]butyl]-1H-pyrazol-5-one Traditional Name: 1-[4-[3-(pyrrolidinomethyl)phenoxy]butyl]-3-pyrazolin-3-one Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC=C2)OCCCCN3C=CC(=O)N3

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC=C2)OCCCCN3C=CC(=O)N3

InChI

InChI=1S/C18H25N3O2/c22-18-8-12-21(19-18)11-3-4-13-23-17-7-5-6-16(14-17)15-20-9-1-2-10-20/h5-8,12,14H,1-4,9-11,13,15H2,(H,19,22)