ethyl 5-chloranyl-6-[4-[(3,4-dichlorophenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[(3,4-dichlorophenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-[(3,4-dichlorophenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[[(3,4-dichlorophenyl)methylamino]-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[(3,4-dichlorophenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[(3,4-dichlorobenzyl)carbamoyl]piperazino]nicotinic acid ethyl ester Formula: C20H21Cl3N4O3 MolecularWeight: 471.76474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NCC3=CC(=C(C=C3)Cl)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NCC3=CC(=C(C=C3)Cl)Cl)Cl

InChI

InChI=1S/C20H21Cl3N4O3/c1-2-30-19(28)14-10-17(23)18(24-12-14)26-5-7-27(8-6-26)20(29)25-11-13-3-4-15(21)16(22)9-13/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,25,29)