2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-phenyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-phenyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-N-phenyl-acetamide CAS Name: 2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-N-phenyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-phenylacetamide Traditional Name: N-benzyl-2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]-N-phenyl-acetamide Formula: C26H20N6O4 MolecularWeight: 480.4748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C26H20N6O4/c33-24(30(20-11-5-2-6-12-20)16-19-9-3-1-4-10-19)17-29-18-27-25-21(26(29)34)15-28-31(25)22-13-7-8-14-23(22)32(35)36/h1-15,18H,16-17H2