pyridazin-4-yl 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)adamantane-1-carboxylate

Systemtic Name: pyridazin-4-yl 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)adamantane-1-carboxylate Openeye Name: pyridazin-4-yl 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)adamantane-1-carboxylate CAS Name: 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-1-adamantanecarboxylic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)adamantane-1-carboxylate Traditional Name: 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)adamantane-1-carboxylic acid pyridazin-4-yl ester Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC23CC4CC(C2)(CC(C3)C4Cl)C(=O)OC5=CN=NC=C5)C6CC6

Isomeric SMILES

CC1=CC=CC(=C1OC23CC4CC(C2)(CC(C3)C4Cl)C(=O)OC5=CN=NC=C5)C6CC6

InChI

InChI=1S/C25H27ClN2O3/c1-15-3-2-4-20(16-5-6-16)22(15)31-25-11-17-9-24(14-25,10-18(12-25)21(17)26)23(29)30-19-7-8-27-28-13-19/h2-4,7-8,13,16-18,21H,5-6,9-12,14H2,1H3