4-[(3S)-5-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3S)-5-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3S)-5-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3S)-5-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3S)-5-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[(5S)-3-(4-chlorophenyl)-5-(4-dimethylaminophenyl)-3-pyrazolin-1-yl]-4-keto-butyric acid Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C=C(NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O3/c1-24(2)17-9-5-15(6-10-17)19-13-18(14-3-7-16(22)8-4-14)23-25(19)20(26)11-12-21(27)28/h3-10,13,19,23H,11-12H2,1-2H3,(H,27,28)/t19-/m0/s1