ethyl 2-[1-[2-(4-chloranylphenoxy)pyridin-3-yl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[2-(4-chloranylphenoxy)pyridin-3-yl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[2-(4-chlorophenoxy)-3-pyridinyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-chlorophenoxy)nicotinoyl]-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O5/c1-2-28-17(25)12-16-18(26)22-10-11-24(16)20(27)15-4-3-9-23-19(15)29-14-7-5-13(21)6-8-14/h3-9,16H,2,10-12H2,1H3,(H,22,26)