tert-butyl 3-[[4-bromanyl-3-[(2-chlorophenyl)carbonylamino]-1H-pyrazol-5-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl 3-[[4-bromanyl-3-[(2-chlorophenyl)carbonylamino]-1H-pyrazol-5-yl]carbonylamino]propanoate Openeye Name: tert-butyl 3-[[4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[4-bromo-3-[[(2-chlorophenyl)-oxomethyl]amino]-1H-pyrazol-5-yl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]propionic acid tert-butyl ester Formula: C18H20BrClN4O4 MolecularWeight: 471.7328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNC(=O)C1=C(C(=NN1)NC(=O)C2=CC=CC=C2Cl)Br

Isomeric SMILES

CC(C)(C)OC(=O)CCNC(=O)C1=C(C(=NN1)NC(=O)C2=CC=CC=C2Cl)Br

InChI

InChI=1S/C18H20BrClN4O4/c1-18(2,3)28-12(25)8-9-21-17(27)14-13(19)15(24-23-14)22-16(26)10-6-4-5-7-11(10)20/h4-7H,8-9H2,1-3H3,(H,21,27)(H2,22,23,24,26)