4-[3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(1,3-diphenylpyrazol-4-yl)pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(1,3-diphenylpyrazol-4-yl)pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(6-chloro-2-oxo-4-phenyl-3-quinolylidene)-5-(1,3-diphenylpyrazol-4-yl)pyrazolidin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(6-chloro-2-oxo-4-phenyl-3-quinolinylidene)-5-(1,3-diphenyl-4-pyrazolyl)-1-pyrazolidinyl]-4-oxobutanoic acid IUPAC Name: 4-[3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(1,3-diphenylpyrazol-4-yl)pyrazolidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(6-chloro-2-keto-4-phenyl-3-quinolylidene)-5-(1,3-diphenylpyrazol-4-yl)pyrazolidin-1-yl]-4-keto-butyric acid Formula: C37H28ClN5O4 MolecularWeight: 642.10232

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(NC1=C2C(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CN(N=C5C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C(N(NC1=C2C(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CN(N=C5C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C37H28ClN5O4/c38-25-16-17-29-27(20-25)34(23-10-4-1-5-11-23)35(37(47)39-29)30-21-31(43(40-30)32(44)18-19-33(45)46)28-22-42(26-14-8-3-9-15-26)41-36(28)24-12-6-2-7-13-24/h1-17,20,22,31,40H,18-19,21H2,(H,45,46)