4-chloranyl-5-fluoranyl-2-[3-(methylamino)-1-pyridin-3-yl-propoxy]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[3-(methylamino)-1-pyridin-3-yl-propoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-(3-pyridyl)propoxy]benzonitrile; oxalic acid CAS Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-(3-pyridinyl)propoxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-pyridin-3-ylpropoxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-(3-pyridyl)propoxy]benzonitrile; oxalic acid Formula: C18H17ClFN3O5 MolecularWeight: 409.796083

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CN=CC=C1)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCC(C1=CN=CC=C1)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H15ClFN3O.C2H2O4/c1-20-6-4-15(11-3-2-5-21-10-11)22-16-8-13(17)14(18)7-12(16)9-19;3-1(4)2(5)6/h2-3,5,7-8,10,15,20H,4,6H2,1H3;(H,3,4)(H,5,6)