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

Systemtic Name: 5-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-3-(4-chlorophenyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-5-(4-chlorophenyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C21H20ClN2O3- MolecularWeight: 383.8481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=O)CCCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=C(C=C3)Cl)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C21H21ClN2O3/c1-14-5-7-15(8-6-14)18-13-19(16-9-11-17(22)12-10-16)24(23-18)20(25)3-2-4-21(26)27/h5-12,19H,2-4,13H2,1H3,(H,26,27)/p-1/t19-/m1/s1