5-ethyl-2-(phenoxymethyl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-ethyl-2-(phenoxymethyl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-ethyl-2-(phenoxymethyl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-ethyl-2-(phenoxymethyl)-3-phenyl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 5-ethyl-2-(phenoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 5-ethyl-2-(phenoxymethyl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C21H18N3O2- MolecularWeight: 344.38652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=NN2C(=C1)[O-])COC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=C(C(=NN2C(=C1)[O-])COC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2/c1-2-16-13-19(25)24-21(22-16)20(15-9-5-3-6-10-15)18(23-24)14-26-17-11-7-4-8-12-17/h3-13,25H,2,14H2,1H3/p-1