(E)-1-(1,3-benzodioxol-5-yl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-en-1-one Formula: C25H19N3O3 MolecularWeight: 409.43666

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C=CC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H19N3O3/c29-22(19-9-11-23-24(13-19)31-17-30-23)10-8-21-16-28(15-18-5-2-1-3-6-18)27-25(21)20-7-4-12-26-14-20/h1-14,16H,15,17H2/b10-8+