methyl (2S)-2-benzamido-3-[3-oxidanylidene-2-(6-phenylpyridazin-3-yl)-1H-pyrazol-4-yl]propanoate

Systemtic Name: methyl (2S)-2-benzamido-3-[3-oxidanylidene-2-(6-phenylpyridazin-3-yl)-1H-pyrazol-4-yl]propanoate Openeye Name: methyl (2S)-2-benzamido-3-[3-oxo-2-(6-phenylpyridazin-3-yl)-1H-pyrazol-4-yl]propanoate CAS Name: (2S)-2-benzamido-3-[3-oxo-2-(6-phenyl-3-pyridazinyl)-1H-pyrazol-4-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-benzamido-3-[3-oxo-2-(6-phenylpyridazin-3-yl)-1H-pyrazol-4-yl]propanoate Traditional Name: (2S)-2-benzamido-3-[5-keto-1-(6-phenylpyridazin-3-yl)-3-pyrazolin-4-yl]propionic acid methyl ester Formula: C24H21N5O4 MolecularWeight: 443.45464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNN(C1=O)C2=NN=C(C=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CNN(C1=O)C2=NN=C(C=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21N5O4/c1-33-24(32)20(26-22(30)17-10-6-3-7-11-17)14-18-15-25-29(23(18)31)21-13-12-19(27-28-21)16-8-4-2-5-9-16/h2-13,15,20,25H,14H2,1H3,(H,26,30)/t20-/m0/s1