[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C22H20N4O3 MolecularWeight: 388.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3/c1-16-11-13-23-26(16)19-9-7-18(8-10-19)22(28)29-15-21(27)25-14-12-20(24-25)17-5-3-2-4-6-17/h2-11,13H,12,14-15H2,1H3