[2-oxidanylidene-2-(1-phenylethylamino)ethyl] (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C28H24BrN3O3 MolecularWeight: 530.41246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)COC(=O)/C=C/C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C28H24BrN3O3/c1-20(21-8-4-2-5-9-21)30-26(33)19-35-27(34)17-14-23-18-32(25-10-6-3-7-11-25)31-28(23)22-12-15-24(29)16-13-22/h2-18,20H,19H2,1H3,(H,30,33)/b17-14+