N-(4-methyl-2-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-ethanamide

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-ethanamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-acetamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-phenylacetamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide Traditional Name: N-(4-methyl-2-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-phenyl-acetamide Formula: C25H26N8O3 MolecularWeight: 486.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)C4=NC=NC5=C4C=NN5C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)C4=NC=NC5=C4C=NN5C)[N+](=O)[O-]

InChI

InChI=1S/C25H26N8O3/c1-17-8-9-20(21(14-17)33(35)36)29-25(34)22(18-6-4-3-5-7-18)31-10-12-32(13-11-31)24-19-15-28-30(2)23(19)26-16-27-24/h3-9,14-16,22H,10-13H2,1-2H3,(H,29,34)