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

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-phenyl-piperazine-1-carboxylate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-phenyl-piperazine-1-carboxylate CAS Name: 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-phenyl-1-piperazinecarboxylic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-phenylpiperazine-1-carboxylate Traditional Name: 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-phenyl-piperazine-1-carboxylic acid pyridazin-4-yl ester Formula: C25H25ClN4O3 MolecularWeight: 464.944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2CN(C(CN2C3=CC=CC=C3)Cl)C(=O)OC4=CN=NC=C4)C5CC5

Isomeric SMILES

CC1=CC=CC(=C1OC2CN(C(CN2C3=CC=CC=C3)Cl)C(=O)OC4=CN=NC=C4)C5CC5

InChI

InChI=1S/C25H25ClN4O3/c1-17-6-5-9-21(18-10-11-18)24(17)33-23-16-30(25(31)32-20-12-13-27-28-14-20)22(26)15-29(23)19-7-3-2-4-8-19/h2-9,12-14,18,22-23H,10-11,15-16H2,1H3