[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-(3-bromophenyl)prop-2-enoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 3-(3-bromophenyl)prop-2-enoate CAS Name: 3-(3-bromophenyl)-2-propenoic acid [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(3-bromophenyl)prop-2-enoate Traditional Name: 3-(3-bromophenyl)acrylic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C24H24BrN3O3 MolecularWeight: 482.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C=CC2=CC(=CC=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C=CC2=CC(=CC=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C24H24BrN3O3/c1-24(2,3)20-15-21(28(27-20)19-10-5-4-6-11-19)26-22(29)16-31-23(30)13-12-17-8-7-9-18(25)14-17/h4-15H,16H2,1-3H3,(H,26,29)