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

Systemtic Name: 5-methyl-4-[(R)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(4-pentoxyphenyl)methyl]-1H-pyrazol-3-olate Openeye Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(4-pentoxyphenyl)methyl]-1H-pyrazol-3-olate CAS Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(4-pentoxyphenyl)methyl]-1H-pyrazol-3-olate IUPAC Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(4-pentoxyphenyl)methyl]-1H-pyrazol-3-olate Traditional Name: 4-[(R)-(4-amoxyphenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C20H25N4O3- MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(C2=C(NNC2=O)C)C3=C(NN=C3[O-])C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)[C@@H](C2=C(NNC2=O)C)C3=C(NN=C3[O-])C

InChI

InChI=1S/C20H26N4O3/c1-4-5-6-11-27-15-9-7-14(8-10-15)18(16-12(2)21-23-19(16)25)17-13(3)22-24-20(17)26/h7-10,18H,4-6,11H2,1-3H3,(H2,21,23,25)(H2,22,24,26)/p-1