5,5-dimethyl-2-[5-(pyrazol-1-ylmethyl)furan-2-yl]carbonyl-cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[5-(pyrazol-1-ylmethyl)furan-2-yl]carbonyl-cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[oxo-[5-(1-pyrazolylmethyl)-2-furanyl]methyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[5-(pyrazol-1-ylmethyl)-2-furoyl]cyclohexane-1,3-quinone Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(=O)C2=CC=C(O2)CN3C=CC=N3)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(=O)C2=CC=C(O2)CN3C=CC=N3)C

InChI

InChI=1S/C17H18N2O4/c1-17(2)8-12(20)15(13(21)9-17)16(22)14-5-4-11(23-14)10-19-7-3-6-18-19/h3-7,15H,8-10H2,1-2H3