4-bromanyl-2-[3-(cyclopropylamino)-1-phenyl-propoxy]-5-fluoranyl-benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[3-(cyclopropylamino)-1-phenyl-propoxy]-5-fluoranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 4-bromo-2-[3-(cyclopropylamino)-1-phenyl-propoxy]-5-fluoro-benzonitrile; oxalic acid CAS Name: 4-bromo-2-[3-(cyclopropylamino)-1-phenylpropoxy]-5-fluorobenzonitrile; oxalic acid IUPAC Name: 4-bromo-2-[3-(cyclopropylamino)-1-phenylpropoxy]-5-fluorobenzonitrile; oxalic acid Traditional Name: 4-bromo-2-[3-(cyclopropylamino)-1-phenyl-propoxy]-5-fluoro-benzonitrile; oxalic acid Formula: C21H20BrFN2O5 MolecularWeight: 479.296303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCCC(C2=CC=CC=C2)OC3=CC(=C(C=C3C#N)F)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC1NCCC(C2=CC=CC=C2)OC3=CC(=C(C=C3C#N)F)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H18BrFN2O.C2H2O4/c20-16-11-19(14(12-22)10-17(16)21)24-18(8-9-23-15-6-7-15)13-4-2-1-3-5-13;3-1(4)2(5)6/h1-5,10-11,15,18,23H,6-9H2;(H,3,4)(H,5,6)