4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(3-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(3-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(3-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-(3-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(3-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(3-nitrophenyl)piperazine-1-carboxamide Formula: C17H18N8O3 MolecularWeight: 382.37662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N8O3/c1-22-15-14(10-20-22)16(19-11-18-15)23-5-7-24(8-6-23)17(26)21-12-3-2-4-13(9-12)25(27)28/h2-4,9-11H,5-8H2,1H3,(H,21,26)