[2-[bis(prop-2-enyl)amino]-2-oxidanylidene-ethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-[bis(prop-2-enyl)amino]-2-oxidanylidene-ethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(diallylamino)-2-oxo-ethyl] (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-[bis(prop-2-enyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(prop-2-enyl)amino]-2-oxoethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(diallylamino)-2-keto-ethyl] ester Formula: C28H25N3O4 MolecularWeight: 467.5158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C(=O)COC(=O)C=CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

C=CCN(CC=C)C(=O)COC(=O)/C=C/C1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C28H25N3O4/c1-3-16-30(17-4-2)26(32)20-34-27(33)15-14-22-19-31(23-11-6-5-7-12-23)29-28(22)25-18-21-10-8-9-13-24(21)35-25/h3-15,18-19H,1-2,16-17,20H2/b15-14+