5-[[2-(4-chlorophenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-(4-chlorophenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-(4-chlorophenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[2-(4-chlorophenyl)-5-methyl-4-phenyl-3-pyrazolyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[2-(4-chlorophenyl)-5-methyl-4-phenylpyrazol-3-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[2-(4-chlorophenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-5-keto-valeric acid Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=CC=C2)NC(=O)CCCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C(=C1C2=CC=CC=C2)NC(=O)CCCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-14-20(15-6-3-2-4-7-15)21(23-18(26)8-5-9-19(27)28)25(24-14)17-12-10-16(22)11-13-17/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,23,26)(H,27,28)