4-[(R)-(4-hexoxyphenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate

Systemtic Name: 4-[(R)-(4-hexoxyphenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(R)-(4-hexoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(R)-(4-hexoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(R)-(4-hexoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(R)-(4-hexoxyphenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C21H27N4O3- MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(C2=C(NNC2=O)C)C3=C(NN=C3[O-])C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)[C@@H](C2=C(NNC2=O)C)C3=C(NN=C3[O-])C

InChI

InChI=1S/C21H28N4O3/c1-4-5-6-7-12-28-16-10-8-15(9-11-16)19(17-13(2)22-24-20(17)26)18-14(3)23-25-21(18)27/h8-11,19H,4-7,12H2,1-3H3,(H2,22,24,26)(H2,23,25,27)/p-1