N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)NCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C20H23N7O3/c1-25-18-15(11-24-25)19(23-13-22-18)26-6-8-27(9-7-26)20(28)21-10-14-12-29-16-4-2-3-5-17(16)30-14/h2-5,11,13-14H,6-10,12H2,1H3,(H,21,28)