[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C29H26BrN3O3 MolecularWeight: 544.43904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C29H26BrN3O3/c1-20(2)25-10-6-7-11-26(25)31-27(34)19-36-28(35)17-14-22-18-33(24-8-4-3-5-9-24)32-29(22)21-12-15-23(30)16-13-21/h3-18,20H,19H2,1-2H3,(H,31,34)