ethyl 2-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate

Systemtic Name: ethyl 2-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: ethyl 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazinyl]-2-(4-chlorophenyl)acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-[4-(5-bromonicotinoyl)piperazino]-2-(4-chlorophenyl)acetic acid ethyl ester Formula: C20H21BrClN3O3 MolecularWeight: 466.75604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClN3O3/c1-2-28-20(27)18(14-3-5-17(22)6-4-14)24-7-9-25(10-8-24)19(26)15-11-16(21)13-23-12-15/h3-6,11-13,18H,2,7-10H2,1H3