2,3-dihydro-1,4-benzodioxin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-5-yl-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-5-yl-[4-(2-pyrimidyl)piperazino]methanone Formula: C17H18N4O3 MolecularWeight: 326.34982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C4C(=CC=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C4C(=CC=C3)OCCO4

InChI

InChI=1S/C17H18N4O3/c22-16(13-3-1-4-14-15(13)24-12-11-23-14)20-7-9-21(10-8-20)17-18-5-2-6-19-17/h1-6H,7-12H2