5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-yl-pyrazole-3-carbonitrile

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-yl-pyrazole-3-carbonitrile Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-yl-pyrazole-3-carbonitrile CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-pyrimidinyl)-3-pyrazolecarbonitrile IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-pyrimidyl)pyrazole-3-carbonitrile Formula: C16H11N5O2 MolecularWeight: 305.29084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC(=NN3C4=NC=CC=N4)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC(=NN3C4=NC=CC=N4)C#N

InChI

InChI=1S/C16H11N5O2/c17-10-12-9-13(21(20-12)16-18-4-1-5-19-16)11-2-3-14-15(8-11)23-7-6-22-14/h1-5,8-9H,6-7H2