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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C18H21N5O3/c24-18(21-12-14-13-25-15-4-1-2-5-16(15)26-14)23-10-8-22(9-11-23)17-19-6-3-7-20-17/h1-7,14H,8-13H2,(H,21,24)