4-chloranyl-5-fluoranyl-3-(methylamino)-2-(1-pyridin-3-ylpropoxy)benzenecarbonitrile; ethanedioic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClFN3O.C2H2O4/c1-3-13(10-5-4-6-21-9-10)22-16-11(8-19)7-12(18)14(17)15(16)20-2;3-1(4)2(5)6/h4-7,9,13,20H,3H2,1-2H3;(H,3,4)(H,5,6)