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

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 3-(5-bromo-2-furyl)prop-2-enoate CAS Name: 3-(5-bromo-2-furanyl)-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-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: 3-(5-bromo-2-furyl)acrylic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C=CC2=CC=C(O2)Br)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C=CC2=CC=C(O2)Br)C3=CC=CC=C3

InChI

InChI=1S/C22H22BrN3O4/c1-22(2,3)17-13-19(26(25-17)15-7-5-4-6-8-15)24-20(27)14-29-21(28)12-10-16-9-11-18(23)30-16/h4-13H,14H2,1-3H3,(H,24,27)