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

Systemtic Name: [4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]phenyl] 4-methylbenzoate Openeye Name: [4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]phenyl] ester IUPAC Name: [4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]phenyl] ester Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C26H23N3O3/c1-18-9-13-21(14-10-18)26(31)32-23-15-11-20(12-16-23)17-27-24-19(2)28(3)29(25(24)30)22-7-5-4-6-8-22/h4-17H,1-3H3