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

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

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)CCCC(=O)[O-])C3=CC=C(C=C3)Cl

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/h5-13,19,23H,2-4H2,1H3,(H,26,27)/p-1/t19-/m0/s1