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

Systemtic Name: 3-(4-methoxyphenyl)-2,5-bis(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 2,5-dibenzyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 3-(4-methoxyphenyl)-2,5-bis(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 2,5-dibenzyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2,5-dibenzyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-olate Formula: C27H22N3O2- MolecularWeight: 420.48248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2CC4=CC=CC=C4)[O-])CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2CC4=CC=CC=C4)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C27H23N3O2/c1-32-23-14-12-21(13-15-23)26-24(17-20-10-6-3-7-11-20)29-30-25(31)18-22(28-27(26)30)16-19-8-4-2-5-9-19/h2-15,18,31H,16-17H2,1H3/p-1