(4-bromophenyl)methyl 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: (4-bromophenyl)methyl 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: (4-bromophenyl)methyl 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 (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyric acid (4-bromobenzyl) ester Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O3/c21-17-8-6-15(7-9-17)14-26-20(25)11-10-19(24)23-13-12-18(22-23)16-4-2-1-3-5-16/h1-9H,10-14H2