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

Systemtic Name: [4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]phenyl] benzoate Openeye Name: [4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]phenyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]phenyl] ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O3/c1-18-23(24(29)28(27(18)2)21-11-7-4-8-12-21)26-17-19-13-15-22(16-14-19)31-25(30)20-9-5-3-6-10-20/h3-17H,1-2H3