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

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-methyl-piperidine-1-carboxylate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-methyl-piperidine-1-carboxylate CAS Name: 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-methyl-1-piperidinecarboxylic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-methylpiperidine-1-carboxylate Traditional Name: 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-methyl-piperidine-1-carboxylic acid pyridazin-4-yl ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(CC1OC2=C(C=CC=C2C)C3CC3)C(=O)OC4=CN=NC=C4)Cl

Isomeric SMILES

CC1CC(N(CC1OC2=C(C=CC=C2C)C3CC3)C(=O)OC4=CN=NC=C4)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-13-4-3-5-17(15-6-7-15)20(13)28-18-12-25(19(22)10-14(18)2)21(26)27-16-8-9-23-24-11-16/h3-5,8-9,11,14-15,18-19H,6-7,10,12H2,1-2H3