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

Systemtic Name: 5-[[2-(3-chlorophenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-(3-chlorophenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[2-(3-chlorophenyl)-5-methyl-4-phenyl-3-pyrazolyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[2-(3-chlorophenyl)-5-methyl-4-phenylpyrazol-3-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[2-(3-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(=CC=C3)Cl

Isomeric SMILES

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

InChI

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