2-[5-methyl-3-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1H-pyrazol-2-yl]ethyl benzoate

Systemtic Name: 2-[5-methyl-3-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1H-pyrazol-2-yl]ethyl benzoate Openeye Name: 2-[5-methyl-3-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-1H-pyrazol-2-yl]ethyl benzoate CAS Name: benzoic acid 2-[5-methyl-3-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-1H-pyrazol-2-yl]ethyl ester IUPAC Name: 2-[5-methyl-3-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-1H-pyrazol-2-yl]ethyl benzoate Traditional Name: benzoic acid 2-[5-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-3-methyl-3-pyrazolin-1-yl]ethyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=NN(C2=O)C3=CC=CC=C3)C)N(N1)CCOC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C2C(=NN(C2=O)C3=CC=CC=C3)C)N(N1)CCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3/c1-16-15-20(21-17(2)25-27(22(21)28)19-11-7-4-8-12-19)26(24-16)13-14-30-23(29)18-9-5-3-6-10-18/h3-12,15,24H,13-14H2,1-2H3