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

Systemtic Name: 2-(3-azanyl-1-pyridin-3-yl-propoxy)-4-chloranyl-5-fluoranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 2-[3-amino-1-(3-pyridyl)propoxy]-4-chloro-5-fluoro-benzonitrile; oxalic acid CAS Name: 2-[3-amino-1-(3-pyridinyl)propoxy]-4-chloro-5-fluorobenzonitrile; oxalic acid IUPAC Name: 2-(3-amino-1-pyridin-3-ylpropoxy)-4-chloro-5-fluorobenzonitrile; oxalic acid Traditional Name: 2-[3-amino-1-(3-pyridyl)propoxy]-4-chloro-5-fluoro-benzonitrile; oxalic acid Formula: C17H15ClFN3O5 MolecularWeight: 395.769503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClFN3O.C2H2O4/c16-12-7-15(11(8-19)6-13(12)17)21-14(3-4-18)10-2-1-5-20-9-10;3-1(4)2(5)6/h1-2,5-7,9,14H,3-4,18H2;(H,3,4)(H,5,6)