ethyl 3-(4-butoxyphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: ethyl 3-(4-butoxyphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: ethyl 3-(4-butoxyphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: 3-(4-butoxyphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-butoxyphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylate Traditional Name: 5-(4-butoxyphenyl)-1-(2,4-dichlorophenyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C22H24Cl2N2O3 MolecularWeight: 435.34356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)OCC

InChI

InChI=1S/C22H24Cl2N2O3/c1-3-5-12-29-17-9-6-15(7-10-17)21-14-19(22(27)28-4-2)25-26(21)20-11-8-16(23)13-18(20)24/h6-11,13,21H,3-5,12,14H2,1-2H3