1-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-3-nitro-phenyl]ethanone Formula: C18H19N7O3 MolecularWeight: 381.38856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3C=NN4C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3C=NN4C)[N+](=O)[O-]

InChI

InChI=1S/C18H19N7O3/c1-12(26)13-3-4-15(16(9-13)25(27)28)23-5-7-24(8-6-23)18-14-10-21-22(2)17(14)19-11-20-18/h3-4,9-11H,5-8H2,1-2H3