1-[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]hex-5-yn-1-one

Systemtic Name: 1-[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]hex-5-yn-1-one Openeye Name: 1-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidin-1-yl]hex-5-yn-1-one CAS Name: 1-[2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-1-pyrazolidinyl]-5-hexyn-1-one IUPAC Name: 1-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidin-1-yl]hex-5-yn-1-one Traditional Name: 1-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidin-1-yl]hex-5-yn-1-one Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC(=O)N1CCCN1C(=O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C#CCCCC(=O)N1CCCN1C(=O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O4/c1-2-3-4-6-17(21)19-9-5-10-20(19)18(22)12-14-7-8-15-16(11-14)24-13-23-15/h1,7-8,11H,3-6,9-10,12-13H2