1-[2-(4-bromophenyl)carbonylpyrazolidin-1-yl]hex-5-yn-1-one

Systemtic Name: 1-[2-(4-bromophenyl)carbonylpyrazolidin-1-yl]hex-5-yn-1-one Openeye Name: 1-[2-(4-bromobenzoyl)pyrazolidin-1-yl]hex-5-yn-1-one CAS Name: 1-[2-[(4-bromophenyl)-oxomethyl]-1-pyrazolidinyl]-5-hexyn-1-one IUPAC Name: 1-[2-(4-bromobenzoyl)pyrazolidin-1-yl]hex-5-yn-1-one Traditional Name: 1-[2-(4-bromobenzoyl)pyrazolidin-1-yl]hex-5-yn-1-one Formula: C16H17BrN2O2 MolecularWeight: 349.22238

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC(=O)N1CCCN1C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C#CCCCC(=O)N1CCCN1C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrN2O2/c1-2-3-4-6-15(20)18-11-5-12-19(18)16(21)13-7-9-14(17)10-8-13/h1,7-10H,3-6,11-12H2