[2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-4-phenyl-pyrazol-3-yl] 4-chloranylbenzoate

Systemtic Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-4-phenyl-pyrazol-3-yl] 4-chloranylbenzoate Openeye Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-4-phenyl-pyrazol-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-4-phenyl-3-pyrazolyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-4-phenylpyrazol-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-4-phenyl-pyrazol-3-yl] ester Formula: C25H19Cl3N2O2 MolecularWeight: 485.78956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Cl)C(C)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=NN(C(=C1C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Cl)C(C)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H19Cl3N2O2/c1-15-23(17-6-4-3-5-7-17)24(32-25(31)18-8-11-20(26)12-9-18)30(29-15)16(2)19-10-13-21(27)22(28)14-19/h3-14,16H,1-2H3