(E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(1-ethyl-5-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(1-ethyl-5-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-en-1-one Formula: C17H19N3O3 MolecularWeight: 313.35106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(=O)C=CNC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)/C=C/NC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C17H19N3O3/c1-3-20-12(2)14(11-19-20)15(21)6-7-18-13-4-5-16-17(10-13)23-9-8-22-16/h4-7,10-11,18H,3,8-9H2,1-2H3/b7-6+