N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-6-methyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H25N5O5/c1-12(2)25-20-16(11-23-25)15(8-13(3)24-20)21(27)22-7-6-14-9-18(30-4)19(31-5)10-17(14)26(28)29/h8-12H,6-7H2,1-5H3,(H,22,27)