3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2-pyrimidyl)piperazino]methanone Formula: C18H20N4O3 MolecularWeight: 340.3764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)OC1

InChI

InChI=1S/C18H20N4O3/c23-17(14-3-4-15-16(13-14)25-12-2-11-24-15)21-7-9-22(10-8-21)18-19-5-1-6-20-18/h1,3-6,13H,2,7-12H2