5-[(3S)-3-(2-chlorophenyl)-5-(4-ethylphenyl)-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-3-(2-chlorophenyl)-5-(4-ethylphenyl)-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-3-(2-chlorophenyl)-5-(4-ethylphenyl)-1,3-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-(2-chlorophenyl)-5-(4-ethylphenyl)-1,3-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-3-(2-chlorophenyl)-5-(4-ethylphenyl)-1,3-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-5-(2-chlorophenyl)-3-(4-ethylphenyl)-3-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=CC(N(N2)C(=O)CCCC(=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)CCCC(=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C22H23ClN2O3/c1-2-15-10-12-16(13-11-15)19-14-20(17-6-3-4-7-18(17)23)25(24-19)21(26)8-5-9-22(27)28/h3-4,6-7,10-14,20,24H,2,5,8-9H2,1H3,(H,27,28)/p-1/t20-/m0/s1