5-[(3S)-5-(4-bromophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-5-(4-bromophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-5-(4-bromophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-5-(4-bromophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-5-(4-bromophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-3-(4-bromophenyl)-5-(4-chlorophenyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C20H17BrClN2O3- MolecularWeight: 448.71758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrClN2O3/c21-15-8-4-13(5-9-15)17-12-18(14-6-10-16(22)11-7-14)24(23-17)19(25)2-1-3-20(26)27/h4-11,18H,1-3,12H2,(H,26,27)/p-1/t18-/m0/s1