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

Systemtic Name: 5-[(3R)-5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-3-(4-bromophenyl)-5-(2,5-dimethoxyphenyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C22H22BrN2O5- MolecularWeight: 474.32448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CC(=NN2C(=O)CCCC(=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CC(=NN2C(=O)CCCC(=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN2O5/c1-29-16-10-11-20(30-2)17(12-16)19-13-18(14-6-8-15(23)9-7-14)24-25(19)21(26)4-3-5-22(27)28/h6-12,19H,3-5,13H2,1-2H3,(H,27,28)/p-1/t19-/m1/s1