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

Systemtic Name: methyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]amino]benzoate Openeye Name: methyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]amino]benzoate CAS Name: 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate Traditional Name: 4-[[(4-chlorophenyl)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]amino]benzoic acid methyl ester Formula: C26H24ClN3O3 MolecularWeight: 461.94006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H24ClN3O3/c1-17-23(25(31)30(29(17)2)22-7-5-4-6-8-22)24(18-9-13-20(27)14-10-18)28-21-15-11-19(12-16-21)26(32)33-3/h4-16,24,28H,1-3H3