N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitro-benzamide CAS Name: N-[5-methyl-2-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitrobenzamide Traditional Name: N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitro-benzamide Formula: C22H16N8O3 MolecularWeight: 440.41424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H16N8O3/c1-14-10-19(26-22(31)15-6-5-9-17(11-15)30(32)33)29(27-14)21-18-12-25-28(20(18)23-13-24-21)16-7-3-2-4-8-16/h2-13H,1H3,(H,26,31)