[(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [(1S)-1-methyl-2-[[2-[(1S)-1-methylpropyl]pyrazol-3-yl]amino]-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [(2S)-1-[[2-[(2S)-butan-2-yl]-3-pyrazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [(1S)-2-keto-1-methyl-2-[[2-[(1S)-1-methylpropyl]pyrazol-3-yl]amino]ethyl] ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@H](C)OC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5O4/c1-5-14(2)26-18(11-12-22-26)23-20(27)15(3)30-21(28)19-17(29-4)13-25(24-19)16-9-7-6-8-10-16/h6-15H,5H2,1-4H3,(H,23,27)/t14-,15-/m0/s1