6-cyclopropyl-1-methyl-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-2H-pyrazolo[3,4-b]pyridin-3-one

Systemtic Name: 6-cyclopropyl-1-methyl-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-2H-pyrazolo[3,4-b]pyridin-3-one Openeye Name: 6-cyclopropyl-1-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one CAS Name: 6-cyclopropyl-1-methyl-4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2H-pyrazolo[3,4-b]pyridin-3-one IUPAC Name: 6-cyclopropyl-1-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one Traditional Name: 6-cyclopropyl-1-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)N1

Isomeric SMILES

CN1C2=C(C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)N1

InChI

InChI=1S/C21H22N6O4/c1-24-19-18(20(28)23-24)16(12-17(22-19)13-2-3-13)21(29)26-10-8-25(9-11-26)14-4-6-15(7-5-14)27(30)31/h4-7,12-13H,2-3,8-11H2,1H3,(H,23,28)