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

Systemtic Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-nitro-4-phenylazanyl-phenyl)methanone Openeye Name: (4-anilino-3-nitro-phenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (4-anilino-3-nitrophenyl)-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-anilino-3-nitrophenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (4-anilino-3-nitro-phenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methanone Formula: C23H22N8O3 MolecularWeight: 458.47258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)NC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)NC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H22N8O3/c1-28-21-18(14-26-28)22(25-15-24-21)29-9-11-30(12-10-29)23(32)16-7-8-19(20(13-16)31(33)34)27-17-5-3-2-4-6-17/h2-8,13-15,27H,9-12H2,1H3