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

Systemtic Name: 5-methyl-4-[(S)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-1H-pyrazol-3-olate Openeye Name: 5-methyl-4-[(S)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-propoxy-1-naphthyl)methyl]-1H-pyrazol-3-olate CAS Name: 5-methyl-4-[(S)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-propoxy-1-naphthalenyl)methyl]-1H-pyrazol-3-olate IUPAC Name: 5-methyl-4-[(S)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(3-keto-5-methyl-3-pyrazolin-4-yl)-(2-propoxy-1-naphthyl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C22H23N4O3- MolecularWeight: 391.44302

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=CC=CC=C2C=C1)C(C3=C(NNC3=O)C)C4=C(NN=C4[O-])C

Isomeric SMILES

CCCOC1=C(C2=CC=CC=C2C=C1)[C@H](C3=C(NNC3=O)C)C4=C(NN=C4[O-])C

InChI

InChI=1S/C22H24N4O3/c1-4-11-29-16-10-9-14-7-5-6-8-15(14)19(16)20(17-12(2)23-25-21(17)27)18-13(3)24-26-22(18)28/h5-10,20H,4,11H2,1-3H3,(H2,23,25,27)(H2,24,26,28)/p-1