tert-butyl 4-bromanyl-3-[[1-[(4-methoxyphenyl)methoxy]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-bromanyl-3-[[1-[(4-methoxyphenyl)methoxy]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]pyrazole-1-carboxylate Openeye Name: tert-butyl 4-bromo-3-[[1-[(4-methoxyphenyl)methoxycarbonyl]-3-methyl-butyl]amino]pyrazole-1-carboxylate CAS Name: 4-bromo-3-[[1-[(4-methoxyphenyl)methoxy]-4-methyl-1-oxopentan-2-yl]amino]-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-bromo-3-[[1-[(4-methoxyphenyl)methoxy]-4-methyl-1-oxopentan-2-yl]amino]pyrazole-1-carboxylate Traditional Name: 4-bromo-3-[(3-methyl-1-p-anisyloxycarbonyl-butyl)amino]pyrazole-1-carboxylic acid tert-butyl ester Formula: C22H30BrN3O5 MolecularWeight: 496.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=C(C=C1)OC)NC2=NN(C=C2Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=C(C=C1)OC)NC2=NN(C=C2Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H30BrN3O5/c1-14(2)11-18(20(27)30-13-15-7-9-16(29-6)10-8-15)24-19-17(23)12-26(25-19)21(28)31-22(3,4)5/h7-10,12,14,18H,11,13H2,1-6H3,(H,24,25)