2-[3-azanyl-1-(6-methoxypyridin-2-yl)propoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile; ethanedioic acid

Systemtic Name: 2-[3-azanyl-1-(6-methoxypyridin-2-yl)propoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 2-[3-amino-1-(6-methoxy-2-pyridyl)propoxy]-4-chloro-5-fluoro-benzonitrile; oxalic acid CAS Name: 2-[3-amino-1-(6-methoxy-2-pyridinyl)propoxy]-4-chloro-5-fluorobenzonitrile; oxalic acid IUPAC Name: 2-[3-amino-1-(6-methoxypyridin-2-yl)propoxy]-4-chloro-5-fluorobenzonitrile; oxalic acid Traditional Name: 2-[3-amino-1-(6-methoxy-2-pyridyl)propoxy]-4-chloro-5-fluoro-benzonitrile; oxalic acid Formula: C18H17ClFN3O6 MolecularWeight: 425.795483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)C(CCN)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=N1)C(CCN)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H15ClFN3O2.C2H2O4/c1-22-16-4-2-3-13(21-16)14(5-6-19)23-15-8-11(17)12(18)7-10(15)9-20;3-1(4)2(5)6/h2-4,7-8,14H,5-6,19H2,1H3;(H,3,4)(H,5,6)