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

Systemtic Name: methyl (2S)-2-[[4-bromanyl-3-[(2-chlorophenyl)carbonylamino]-1H-pyrazol-5-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-bromo-3-[[(2-chlorophenyl)-oxomethyl]amino]-1H-pyrazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H18BrClN4O4 MolecularWeight: 505.74902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C(=NN2)NC(=O)C3=CC=CC=C3Cl)Br

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(C(=NN2)NC(=O)C3=CC=CC=C3Cl)Br

InChI

InChI=1S/C21H18BrClN4O4/c1-31-21(30)15(11-12-7-3-2-4-8-12)24-20(29)17-16(22)18(27-26-17)25-19(28)13-9-5-6-10-14(13)23/h2-10,15H,11H2,1H3,(H,24,29)(H2,25,26,27,28)/t15-/m0/s1