2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoylamino]-N-phenyl-benzamide

Systemtic Name: 2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoylamino]-N-phenyl-benzamide Openeye Name: 2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoylamino]-N-phenyl-benzamide CAS Name: 2-[[3-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-oxopropyl]amino]-N-phenylbenzamide IUPAC Name: 2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoylamino]-N-phenylbenzamide Traditional Name: 2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propanoylamino]-N-phenyl-benzamide Formula: C26H28N8O2 MolecularWeight: 484.55292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H28N8O2/c1-32-24-21(17-29-32)25(28-18-27-24)34-15-13-33(14-16-34)12-11-23(35)31-22-10-6-5-9-20(22)26(36)30-19-7-3-2-4-8-19/h2-10,17-18H,11-16H2,1H3,(H,30,36)(H,31,35)