[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl] ester Formula: C19H19Cl2N3O3 MolecularWeight: 408.27846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)COC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)COC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C19H19Cl2N3O3/c1-13-4-5-14(20)11-16(13)23-7-9-24(10-8-23)17(25)12-27-19(26)15-3-2-6-22-18(15)21/h2-6,11H,7-10,12H2,1H3