1-[4-[6-(oxan-4-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[6-(oxan-4-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 2-phenoxy-1-[4-(1-phenyl-6-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-[6-(4-oxanyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[6-(oxan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 2-phenoxy-1-[4-(1-phenyl-6-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]ethanone Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCN(CC5)C(=O)COC6=CC=CC=C6

Isomeric SMILES

C1COCCC1C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCN(CC5)C(=O)COC6=CC=CC=C6

InChI

InChI=1S/C28H30N6O3/c35-25(20-37-23-9-5-2-6-10-23)32-13-15-33(16-14-32)27-24-19-29-34(22-7-3-1-4-8-22)28(24)31-26(30-27)21-11-17-36-18-12-21/h1-10,19,21H,11-18,20H2