1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yl-ethanone

Systemtic Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yl-ethanone Openeye Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(2-naphthyl)ethanone CAS Name: 1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-(2-naphthalenyl)ethanone IUPAC Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-naphthalen-2-ylethanone Traditional Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(2-naphthyl)ethanone Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H22N6O/c1-26-21-19(14-25-26)22(24-15-23-21)28-10-8-27(9-11-28)20(29)13-16-6-7-17-4-2-3-5-18(17)12-16/h2-7,12,14-15H,8-11,13H2,1H3