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

Systemtic Name: 3-(2-methoxyphenyl)-2-(phenylmethyl)-5-propyl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 2-benzyl-3-(2-methoxyphenyl)-5-propyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 3-(2-methoxyphenyl)-2-(phenylmethyl)-5-propyl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 2-benzyl-3-(2-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2-benzyl-3-(2-methoxyphenyl)-5-propyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C23H22N3O2- MolecularWeight: 372.43968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C(=C1)[O-])CC3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C(=C1)[O-])CC3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H23N3O2/c1-3-9-17-15-21(27)26-23(24-17)22(18-12-7-8-13-20(18)28-2)19(25-26)14-16-10-5-4-6-11-16/h4-8,10-13,15,27H,3,9,14H2,1-2H3/p-1