[4-(4-nitrophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone Openeye Name: (1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)methanone IUPAC Name: [4-(4-nitrophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone Traditional Name: (1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3/c1-14(2)25-19-15(13-22-25)11-16(12-21-19)20(27)24-9-7-23(8-10-24)17-3-5-18(6-4-17)26(28)29/h3-6,11-14H,7-10H2,1-2H3