methyl (2S)-2-[[4-bromanyl-3-[(2-chlorophenyl)carbonylamino]-1H-pyrazol-5-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[4-bromanyl-3-[(2-chlorophenyl)carbonylamino]-1H-pyrazol-5-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[4-bromo-3-[[(2-chlorophenyl)-oxomethyl]amino]-1H-pyrazol-5-yl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C20H16BrClN4O4 MolecularWeight: 491.72244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)C2=C(C(=NN2)NC(=O)C3=CC=CC=C3Cl)Br

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NN2)NC(=O)C3=CC=CC=C3Cl)Br

InChI

InChI=1S/C20H16BrClN4O4/c1-30-20(29)15(11-7-3-2-4-8-11)23-19(28)16-14(21)17(26-25-16)24-18(27)12-9-5-6-10-13(12)22/h2-10,15H,1H3,(H,23,28)(H2,24,25,26,27)/t15-/m0/s1