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

Systemtic Name: [4-[1-(3,4-dichlorophenyl)ethyl]-1-methyl-5-phenyl-pyrazol-3-yl] butanoate Openeye Name: [4-[1-(3,4-dichlorophenyl)ethyl]-1-methyl-5-phenyl-pyrazol-3-yl] butanoate CAS Name: butanoic acid [4-[1-(3,4-dichlorophenyl)ethyl]-1-methyl-5-phenyl-3-pyrazolyl] ester IUPAC Name: [4-[1-(3,4-dichlorophenyl)ethyl]-1-methyl-5-phenylpyrazol-3-yl] butanoate Traditional Name: butyric acid [4-[1-(3,4-dichlorophenyl)ethyl]-1-methyl-5-phenyl-pyrazol-3-yl] ester Formula: C22H22Cl2N2O2 MolecularWeight: 417.32828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NN(C(=C1C(C)C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3)C

Isomeric SMILES

CCCC(=O)OC1=NN(C(=C1C(C)C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22Cl2N2O2/c1-4-8-19(27)28-22-20(14(2)16-11-12-17(23)18(24)13-16)21(26(3)25-22)15-9-6-5-7-10-15/h5-7,9-14H,4,8H2,1-3H3