(E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxy-phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxy-phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxy-phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxyphenyl]-1-(1-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxyphenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxy-phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)C=CC2=CC(=C(C=C2)OC)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=CC(=N1)C(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20N2O5/c1-24-10-9-18(23-24)19(25)6-3-15-4-7-20(26-2)16(11-15)13-27-17-5-8-21-22(12-17)29-14-28-21/h3-12H,13-14H2,1-2H3/b6-3+