(2-benzamido-2-oxidanylidene-ethyl) 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: (2-benzamido-2-oxo-ethyl) 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyric acid (2-benzamido-2-keto-ethyl) ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5/c26-19(23-22(29)17-9-5-2-6-10-17)15-30-21(28)12-11-20(27)25-14-13-18(24-25)16-7-3-1-4-8-16/h1-10H,11-15H2,(H,23,26,29)