4-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(4-bromophenyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(4-bromophenyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C20H18BrN2O3- MolecularWeight: 414.27252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC=C(C=C3)Br)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C20H19BrN2O3/c1-13-2-4-14(5-3-13)17-12-18(15-6-8-16(21)9-7-15)23(22-17)19(24)10-11-20(25)26/h2-9,18H,10-12H2,1H3,(H,25,26)/p-1/t18-/m0/s1