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

Systemtic Name: 3-(4-chlorophenyl)-2-(phenylmethyl)-5-propyl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 2-benzyl-3-(4-chlorophenyl)-5-propyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 3-(4-chlorophenyl)-2-(phenylmethyl)-5-propyl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 2-benzyl-3-(4-chlorophenyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2-benzyl-3-(4-chlorophenyl)-5-propyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C22H19ClN3O- MolecularWeight: 376.85876

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C(=C1)[O-])CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C(=C1)[O-])CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O/c1-2-6-18-14-20(27)26-22(24-18)21(16-9-11-17(23)12-10-16)19(25-26)13-15-7-4-3-5-8-15/h3-5,7-12,14,27H,2,6,13H2,1H3/p-1