4-chloranyl-5-fluoranyl-2-[4-(methylamino)-1-pyridin-2-yl-butoxy]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[4-(methylamino)-1-pyridin-2-yl-butoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-5-fluoro-2-[4-(methylamino)-1-(2-pyridyl)butoxy]benzonitrile; oxalic acid CAS Name: 4-chloro-5-fluoro-2-[4-(methylamino)-1-(2-pyridinyl)butoxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-5-fluoro-2-[4-(methylamino)-1-pyridin-2-ylbutoxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-5-fluoro-2-[4-(methylamino)-1-(2-pyridyl)butoxy]benzonitrile; oxalic acid Formula: C19H19ClFN3O5 MolecularWeight: 423.822663

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCC(C1=CC=CC=N1)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCCC(C1=CC=CC=N1)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H17ClFN3O.C2H2O4/c1-21-7-4-6-16(15-5-2-3-8-22-15)23-17-10-13(18)14(19)9-12(17)11-20;3-1(4)2(5)6/h2-3,5,8-10,16,21H,4,6-7H2,1H3;(H,3,4)(H,5,6)