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

Systemtic Name: 5-methyl-4-[(R)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(2-phenylmethoxyphenyl)methyl]-1H-pyrazol-3-olate Openeye Name: 4-[(R)-(2-benzyloxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-phenylmethoxyphenyl)methyl]-1H-pyrazol-3-olate IUPAC Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-phenylmethoxyphenyl)methyl]-1H-pyrazol-3-olate Traditional Name: 4-[(R)-(2-benzoxyphenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C22H21N4O3- MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=C(NN=C4[O-])C

Isomeric SMILES

CC1=C(C(=O)NN1)[C@H](C2=CC=CC=C2OCC3=CC=CC=C3)C4=C(NN=C4[O-])C

InChI

InChI=1S/C22H22N4O3/c1-13-18(21(27)25-23-13)20(19-14(2)24-26-22(19)28)16-10-6-7-11-17(16)29-12-15-8-4-3-5-9-15/h3-11,20H,12H2,1-2H3,(H2,23,25,27)(H2,24,26,28)/p-1