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

Systemtic Name: 4-[(3S)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3-(4-bromophenyl)-5-(4-dimethylaminophenyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C21H21BrN3O3- MolecularWeight: 443.31374

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)CCC(=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O3/c1-24(2)17-9-5-15(6-10-17)19-13-18(14-3-7-16(22)8-4-14)23-25(19)20(26)11-12-21(27)28/h3-10,19H,11-13H2,1-2H3,(H,27,28)/p-1/t19-/m0/s1