1-[(2-nitrophenyl)methyl]-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 1-[(2-nitrophenyl)methyl]-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1-[(2-nitrophenyl)methyl]-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1-[(2-nitrophenyl)methyl]-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-[(2-nitrophenyl)methyl]-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1-(2-nitrobenzyl)-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C24H25N5O4 MolecularWeight: 447.4864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC=CC=C3OCCC)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC=CC=C3OCCC)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O4/c1-3-9-18-21-22(28(27-18)15-16-10-5-7-12-19(16)29(31)32)24(30)26-23(25-21)17-11-6-8-13-20(17)33-14-4-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,25,26,30)