(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 2-formamidoethanoate

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 2-formamidoethanoate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 2-formamidoacetate CAS Name: 2-formamidoacetic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 2-formamidoacetate Traditional Name: 2-formamidoacetic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CNC=O

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CNC=O

InChI

InChI=1S/C22H23N3O4/c1-2-3-14-19-21(28)24(17-10-6-4-7-11-17)25(18-12-8-5-9-13-18)22(19)29-20(27)15-23-16-26/h4-13,16H,2-3,14-15H2,1H3,(H,23,26)