1-[4-[2-(3-fluoranylpyridin-4-yl)ethyl]piperazin-1-yl]-2-phenylazanyl-ethanone trihydrochloride

Systemtic Name: 1-[4-[2-(3-fluoranylpyridin-4-yl)ethyl]piperazin-1-yl]-2-phenylazanyl-ethanone trihydrochloride Openeye Name: 2-anilino-1-[4-[2-(3-fluoro-4-pyridyl)ethyl]piperazin-1-yl]ethanone trihydrochloride CAS Name: 2-anilino-1-[4-[2-(3-fluoro-4-pyridinyl)ethyl]-1-piperazinyl]ethanone trihydrochloride IUPAC Name: 2-anilino-1-[4-[2-(3-fluoropyridin-4-yl)ethyl]piperazin-1-yl]ethanone trihydrochloride Traditional Name: 2-anilino-1-[4-[2-(3-fluoro-4-pyridyl)ethyl]piperazino]ethanone trihydrochloride Formula: C19H26Cl3FN4O MolecularWeight: 451.793343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=C(C=NC=C2)F)C(=O)CNC3=CC=CC=C3.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC2=C(C=NC=C2)F)C(=O)CNC3=CC=CC=C3.Cl.Cl.Cl

InChI

InChI=1S/C19H23FN4O.3ClH/c20-18-14-21-8-6-16(18)7-9-23-10-12-24(13-11-23)19(25)15-22-17-4-2-1-3-5-17;;;/h1-6,8,14,22H,7,9-13,15H2;3*1H