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

Systemtic Name: 2-(phenoxymethyl)-3-phenyl-5-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-benzyl-2-(phenoxymethyl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 2-(phenoxymethyl)-3-phenyl-5-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 5-benzyl-2-(phenoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 5-benzyl-2-(phenoxymethyl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C26H20N3O2- MolecularWeight: 406.4559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(C(=NN3C(=C2)[O-])COC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(C(=NN3C(=C2)[O-])COC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O2/c30-24-17-21(16-19-10-4-1-5-11-19)27-26-25(20-12-6-2-7-13-20)23(28-29(24)26)18-31-22-14-8-3-9-15-22/h1-15,17,30H,16,18H2/p-1