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

Systemtic Name: 4-[[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-(3-bromophenyl)-1-phenyl-4-pyrazolyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-keto-butyrate Formula: C20H17BrN3O3- MolecularWeight: 427.27128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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