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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O5/c1-29-19-11-8-15(12-20(19)30-2)18-13-17(14-6-9-16(23)10-7-14)24-25(18)21(26)4-3-5-22(27)28/h6-12,18H,3-5,13H2,1-2H3,(H,27,28)/p-1/t18-/m1/s1