N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-morpholino-5-nitro-benzamide CAS Name: N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-morpholino-5-nitro-benzamide Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C

InChI

InChI=1S/C19H20N6O4/c1-12-15-9-13(11-20-18(15)23(2)22-12)21-19(26)16-10-14(25(27)28)3-4-17(16)24-5-7-29-8-6-24/h3-4,9-11H,5-8H2,1-2H3,(H,21,26)