3,3-dimethyl-1-[2-(5-pyridin-3-ylpent-4-ynoyl)pyrazolidin-1-yl]pentane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-[2-(5-pyridin-3-ylpent-4-ynoyl)pyrazolidin-1-yl]pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[2-[5-(3-pyridyl)pent-4-ynoyl]pyrazolidin-1-yl]pentane-1,2-dione CAS Name: 3,3-dimethyl-1-[2-[1-oxo-5-(3-pyridinyl)pent-4-ynyl]-1-pyrazolidinyl]pentane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[2-(5-pyridin-3-ylpent-4-ynoyl)pyrazolidin-1-yl]pentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[2-[5-(3-pyridyl)pent-4-ynoyl]pyrazolidin-1-yl]pentane-1,2-dione Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCN1C(=O)CCC#CC2=CN=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCN1C(=O)CCC#CC2=CN=CC=C2

InChI

InChI=1S/C20H25N3O3/c1-4-20(2,3)18(25)19(26)23-14-8-13-22(23)17(24)11-6-5-9-16-10-7-12-21-15-16/h7,10,12,15H,4,6,8,11,13-14H2,1-3H3