(Z)-1-(1,3-benzodioxol-5-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (Z)-1-(1,3-benzodioxol-5-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (Z)-1-(1,3-benzodioxol-5-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (Z)-1-(1,3-benzodioxol-5-yl)-3-[4-methoxy-3-(1-pyrazolylmethyl)phenyl]-2-propen-1-one IUPAC Name: (Z)-1-(1,3-benzodioxol-5-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (Z)-1-(1,3-benzodioxol-5-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCO3)CN4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\C(=O)C2=CC3=C(C=C2)OCO3)CN4C=CC=N4

InChI

InChI=1S/C21H18N2O4/c1-25-19-7-4-15(11-17(19)13-23-10-2-9-22-23)3-6-18(24)16-5-8-20-21(12-16)27-14-26-20/h2-12H,13-14H2,1H3/b6-3-