[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate CAS Name: 3-(1,3-diphenyl-4-pyrazolyl)-2-propenoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-(1,3-diphenylpyrazol-4-yl)acrylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C28H23N3O5 MolecularWeight: 481.49932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23N3O5/c32-26(29-16-20-11-13-24-25(15-20)36-19-35-24)18-34-27(33)14-12-22-17-31(23-9-5-2-6-10-23)30-28(22)21-7-3-1-4-8-21/h1-15,17H,16,18-19H2,(H,29,32)