5-[(3R)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3R)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-3-(4-bromophenyl)-5-(4-dimethylaminophenyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C22H23BrN3O3- MolecularWeight: 457.34032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O3/c1-25(2)18-12-8-16(9-13-18)20-14-19(15-6-10-17(23)11-7-15)24-26(20)21(27)4-3-5-22(28)29/h6-13,20H,3-5,14H2,1-2H3,(H,28,29)/p-1/t20-/m1/s1