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

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-methyl-piperazine-1-carboxylate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-methyl-piperazine-1-carboxylate CAS Name: 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-methyl-1-piperazinecarboxylic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-methylpiperazine-1-carboxylate Traditional Name: 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-methyl-piperazine-1-carboxylic acid pyridazin-4-yl ester Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2CN(C(CN2C)Cl)C(=O)OC3=CN=NC=C3)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2CN(C(CN2C)Cl)C(=O)OC3=CN=NC=C3)C4CC4

InChI

InChI=1S/C20H23ClN4O3/c1-13-4-3-5-16(14-6-7-14)19(13)28-18-12-25(17(21)11-24(18)2)20(26)27-15-8-9-22-23-10-15/h3-5,8-10,14,17-18H,6-7,11-12H2,1-2H3