5-[(3R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-5-(4-chlorophenyl)-3-(4-ethylphenyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C22H22ClN2O3- MolecularWeight: 397.87468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=O)CCCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=C(C=C3)Cl)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C22H23ClN2O3/c1-2-15-6-8-16(9-7-15)19-14-20(17-10-12-18(23)13-11-17)25(24-19)21(26)4-3-5-22(27)28/h6-13,20H,2-5,14H2,1H3,(H,27,28)/p-1/t20-/m1/s1