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

Systemtic Name: 5-[[2-(3-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-(3-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[2-(3-chlorophenyl)-5-phenyl-3-pyrazolyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[2-(3-chlorophenyl)-5-phenylpyrazol-3-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[2-(3-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-5-keto-valeric acid Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCCC(=O)O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCCC(=O)O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H18ClN3O3/c21-15-8-4-9-16(12-15)24-18(22-19(25)10-5-11-20(26)27)13-17(23-24)14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,25)(H,26,27)