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

Systemtic Name: 2-(phenoxymethyl)-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 2-(phenoxymethyl)-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 2-(phenoxymethyl)-3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 2-(phenoxymethyl)-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2-(phenoxymethyl)-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C22H20N3O2- MolecularWeight: 358.4131

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C(=C1)[O-])COC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C(=C1)[O-])COC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2/c1-2-9-17-14-20(26)25-22(23-17)21(16-10-5-3-6-11-16)19(24-25)15-27-18-12-7-4-8-13-18/h3-8,10-14,26H,2,9,15H2,1H3/p-1