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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide Openeye Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide Traditional Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C21H26N7O3+ MolecularWeight: 424.47624

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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)N4CC[NH+](CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC(=C(C=C3)N4CC[NH+](CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N7O3/c1-14(2)27-20-16(12-23-27)10-17(13-22-20)24-21(29)15-4-5-18(19(11-15)28(30)31)26-8-6-25(3)7-9-26/h4-5,10-14H,6-9H2,1-3H3,(H,24,29)/p+1