4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-keto-butyric acid Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CNC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CNC(=O)CCC(=O)O

InChI

InChI=1S/C20H18BrN3O3/c21-16-8-6-14(7-9-16)20-15(12-22-18(25)10-11-19(26)27)13-24(23-20)17-4-2-1-3-5-17/h1-9,13H,10-12H2,(H,22,25)(H,26,27)