pyridazin-4-yl 5-tert-butyl-2-[(2-chlorophenyl)methyl]-5-(2-cyclopropyl-6-methyl-phenoxy)-1H-pyrazole-3-carboxylate

Systemtic Name: pyridazin-4-yl 5-tert-butyl-2-[(2-chlorophenyl)methyl]-5-(2-cyclopropyl-6-methyl-phenoxy)-1H-pyrazole-3-carboxylate Openeye Name: pyridazin-4-yl 5-tert-butyl-2-[(2-chlorophenyl)methyl]-5-(2-cyclopropyl-6-methyl-phenoxy)-1H-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-2-[(2-chlorophenyl)methyl]-5-(2-cyclopropyl-6-methylphenoxy)-1H-pyrazole-3-carboxylic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 5-tert-butyl-2-[(2-chlorophenyl)methyl]-5-(2-cyclopropyl-6-methylphenoxy)-1H-pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-2-(2-chlorobenzyl)-5-(2-cyclopropyl-6-methyl-phenoxy)-3-pyrazoline-3-carboxylic acid pyridazin-4-yl ester Formula: C29H31ClN4O3 MolecularWeight: 519.03444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2(C=C(N(N2)CC3=CC=CC=C3Cl)C(=O)OC4=CN=NC=C4)C(C)(C)C)C5CC5

Isomeric SMILES

CC1=CC=CC(=C1OC2(C=C(N(N2)CC3=CC=CC=C3Cl)C(=O)OC4=CN=NC=C4)C(C)(C)C)C5CC5

InChI

InChI=1S/C29H31ClN4O3/c1-19-8-7-10-23(20-12-13-20)26(19)37-29(28(2,3)4)16-25(27(35)36-22-14-15-31-32-17-22)34(33-29)18-21-9-5-6-11-24(21)30/h5-11,14-17,20,33H,12-13,18H2,1-4H3