(1,3-diphenylpyrazol-4-yl)methyl 4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 4-oxidanylidene-4-phenyl-butanoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C26H22N2O3 MolecularWeight: 410.46448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)CCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)CCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O3/c29-24(20-10-4-1-5-11-20)16-17-25(30)31-19-22-18-28(23-14-8-3-9-15-23)27-26(22)21-12-6-2-7-13-21/h1-15,18H,16-17,19H2