[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 4-chloranylbenzoate

Systemtic Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 4-chloranylbenzoate Openeye Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl ester Formula: C25H21ClN2O2 MolecularWeight: 416.89944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C25H21ClN2O2/c1-17-8-9-20(14-18(17)2)24-21(15-28(27-24)23-6-4-3-5-7-23)16-30-25(29)19-10-12-22(26)13-11-19/h3-15H,16H2,1-2H3