3,3-dimethyl-1-[2-[(E)-5-pyridin-3-ylpent-4-enoyl]pyrrolidin-1-yl]pentane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-[2-[(E)-5-pyridin-3-ylpent-4-enoyl]pyrrolidin-1-yl]pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[2-[(E)-5-(3-pyridyl)pent-4-enoyl]pyrrolidin-1-yl]pentane-1,2-dione CAS Name: 3,3-dimethyl-1-[2-[(E)-1-oxo-5-(3-pyridinyl)pent-4-enyl]-1-pyrrolidinyl]pentane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[2-[(E)-5-pyridin-3-ylpent-4-enoyl]pyrrolidin-1-yl]pentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[2-[(E)-5-(3-pyridyl)pent-4-enoyl]pyrrolidino]pentane-1,2-dione Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)CCC=CC2=CN=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)CC/C=C/C2=CN=CC=C2

InChI

InChI=1S/C21H28N2O3/c1-4-21(2,3)19(25)20(26)23-14-8-11-17(23)18(24)12-6-5-9-16-10-7-13-22-15-16/h5,7,9-10,13,15,17H,4,6,8,11-12,14H2,1-3H3/b9-5+