2-chloranyl-5-[4-[3-methyl-4-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-5-oxidanylidene-1-phenyl-pyrazol-4-yl]-3-(octadecanoylamino)-5-oxidanylidene-4H-pyrazol-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[4-[3-methyl-4-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-5-oxidanylidene-1-phenyl-pyrazol-4-yl]-3-(octadecanoylamino)-5-oxidanylidene-4H-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[4-[3-methyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-5-oxo-1-phenyl-pyrazol-4-yl]-3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[4-[3-methyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-5-oxo-1-phenyl-4-pyrazolyl]-5-oxo-3-(1-oxooctadecylamino)-4H-pyrazol-1-yl]benzoic acid IUPAC Name: 2-chloro-5-[4-[3-methyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-5-oxo-1-phenylpyrazol-4-yl]-3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[5-keto-4-[5-keto-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)-3-methyl-1-phenyl-2-pyrazolin-4-yl]-3-stearamido-2-pyrazolin-1-yl]benzoic acid Formula: C48H58ClN7O6 MolecularWeight: 864.47042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1C2(C(=NN(C2=O)C3=CC=CC=C3)C)C4C(=NN(C4=O)C5=CC=CC=C5)C)C6=CC(=C(C=C6)Cl)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1C2(C(=NN(C2=O)C3=CC=CC=C3)C)C4C(=NN(C4=O)C5=CC=CC=C5)C)C6=CC(=C(C=C6)Cl)C(=O)O

InChI

InChI=1S/C48H58ClN7O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-40(57)50-43-42(45(59)55(53-43)37-30-31-39(49)38(32-37)46(60)61)48(34(3)52-56(47(48)62)36-27-22-19-23-28-36)41-33(2)51-54(44(41)58)35-25-20-18-21-26-35/h18-23,25-28,30-32,41-42H,4-17,24,29H2,1-3H3,(H,60,61)(H,50,53,57)