2,2-dimethyl-5-[(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylidene]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylene]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methylene]-1,3-dioxane-4,6-quinone Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C2C(=O)OC(OC2=O)(C)C)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C=C2C(=O)OC(OC2=O)(C)C)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4/c1-14-16(13-17-19(25)27-21(2,3)28-20(17)26)18(23-11-7-8-12-23)24(22-14)15-9-5-4-6-10-15/h4-6,9-10,13H,7-8,11-12H2,1-3H3