N-(2-methyl-4-nitro-phenyl)-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-benzyl-N-(2-methyl-4-nitro-phenyl)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-(2-methyl-4-nitrophenyl)-1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-benzyl-N-(2-methyl-4-nitrophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-benzyl-N-(2-methyl-4-nitro-phenyl)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4

InChI

InChI=1S/C21H17N5O3/c1-14-9-18(26(28)29)7-8-19(14)24-21(27)17-10-16-12-23-25(20(16)22-11-17)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,24,27)