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

Systemtic Name: 5-[(3R)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-5-(4-bromophenyl)-3-phenyl-2-pyrazolin-1-yl]-5-keto-valerate Formula: C20H18BrN2O3- MolecularWeight: 414.27252

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O3/c21-16-11-9-15(10-12-16)18-13-17(14-5-2-1-3-6-14)22-23(18)19(24)7-4-8-20(25)26/h1-3,5-6,9-12,18H,4,7-8,13H2,(H,25,26)/p-1/t18-/m1/s1