3-[4-[[1-(2-cyanoethyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[[1-(2-cyanoethyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[[1-(2-cyanoethyl)-5-oxo-3-phenyl-pyrazol-4-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[[1-(2-cyanoethyl)-5-oxo-3-phenyl-4-pyrazolylidene]methyl]-3-phenyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[[1-(2-cyanoethyl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]-3-phenylpyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[[1-(2-cyanoethyl)-5-keto-3-phenyl-2-pyrazolin-4-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propionic acid Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)CCC#N)C4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)CCC#N)C4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C25H21N5O3/c26-13-7-14-30-25(33)21(24(28-30)19-10-5-2-6-11-19)16-20-17-29(15-12-22(31)32)27-23(20)18-8-3-1-4-9-18/h1-6,8-11,16-17H,7,12,14-15H2,(H,31,32)