[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-oxidanylidene-butan-2-yl] benzoate

Systemtic Name: [1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-oxidanylidene-butan-2-yl] benzoate Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazole-4-carbonyl)propyl benzoate CAS Name: benzoic acid [1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] benzoate Traditional Name: benzoic acid 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazoline-4-carbonyl)propyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4/c1-4-18(28-22(27)16-11-7-5-8-12-16)20(25)19-15(2)23(3)24(21(19)26)17-13-9-6-10-14-17/h5-14,18H,4H2,1-3H3