ethyl 6-[4-(2-chloranylpyridin-4-yl)carbonylpiperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(2-chloranylpyridin-4-yl)carbonylpiperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(2-chloropyridine-4-carbonyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(2-chloro-4-pyridinyl)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(2-chloropyridine-4-carbonyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(2-chloroisonicotinoyl)piperazino]nicotinic acid ethyl ester Formula: C18H19ClN4O3 MolecularWeight: 374.82146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C18H19ClN4O3/c1-2-26-18(25)14-3-4-16(21-12-14)22-7-9-23(10-8-22)17(24)13-5-6-20-15(19)11-13/h3-6,11-12H,2,7-10H2,1H3