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

Systemtic Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N7O3/c1-13-16-11-15(12-21-19(16)25(3)23-13)22-20(28)14-4-5-17(18(10-14)27(29)30)26-8-6-24(2)7-9-26/h4-5,10-12H,6-9H2,1-3H3,(H,22,28)