pyridazin-4-yl 4-bromanyl-2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)piperidine-1-carboxylate

Systemtic Name: pyridazin-4-yl 4-bromanyl-2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)piperidine-1-carboxylate Openeye Name: pyridazin-4-yl 4-bromo-2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)piperidine-1-carboxylate CAS Name: 4-bromo-2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-1-piperidinecarboxylic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 4-bromo-2-chloro-5-(2-cyclopropyl-6-methylphenoxy)piperidine-1-carboxylate Traditional Name: 4-bromo-2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)piperidine-1-carboxylic acid pyridazin-4-yl ester Formula: C20H21BrClN3O3 MolecularWeight: 466.75604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2CN(C(CC2Br)Cl)C(=O)OC3=CN=NC=C3)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2CN(C(CC2Br)Cl)C(=O)OC3=CN=NC=C3)C4CC4

InChI

InChI=1S/C20H21BrClN3O3/c1-12-3-2-4-15(13-5-6-13)19(12)28-17-11-25(18(22)9-16(17)21)20(26)27-14-7-8-23-24-10-14/h2-4,7-8,10,13,16-18H,5-6,9,11H2,1H3