3-nitro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3/c1-13(2)25-19-15(11-22-25)9-16(12-21-19)23-20(27)14-5-6-17(18(10-14)26(28)29)24-7-3-4-8-24/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,23,27)