3-(4-chlorophenyl)-2,5-bis(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 3-(4-chlorophenyl)-2,5-bis(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 2,5-dibenzyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 3-(4-chlorophenyl)-2,5-bis(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 2,5-dibenzyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2,5-dibenzyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-olate Formula: C26H19ClN3O- MolecularWeight: 424.90156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(C(=NN3C(=C2)[O-])CC4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(C(=NN3C(=C2)[O-])CC4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H20ClN3O/c27-21-13-11-20(12-14-21)25-23(16-19-9-5-2-6-10-19)29-30-24(31)17-22(28-26(25)30)15-18-7-3-1-4-8-18/h1-14,17,31H,15-16H2/p-1