1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(2-pyrimidyl)piperazino]butane-1,4-dione Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22N4O4/c25-16(15-2-4-17-18(14-15)28-13-12-27-17)3-5-19(26)23-8-10-24(11-9-23)20-21-6-1-7-22-20/h1-2,4,6-7,14H,3,5,8-13H2