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

Systemtic Name: 5-(2-ethoxy-2-oxidanylidene-ethyl)-3-phenyl-2-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 2-benzyl-5-(2-ethoxy-2-oxo-ethyl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-(2-ethoxy-2-oxoethyl)-3-phenyl-2-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 2-benzyl-5-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2-benzyl-5-(2-ethoxy-2-keto-ethyl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C23H20N3O3- MolecularWeight: 386.4232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC2=C(C(=NN2C(=C1)[O-])CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1=NC2=C(C(=NN2C(=C1)[O-])CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3/c1-2-29-21(28)15-18-14-20(27)26-23(24-18)22(17-11-7-4-8-12-17)19(25-26)13-16-9-5-3-6-10-16/h3-12,14,27H,2,13,15H2,1H3/p-1