3-[(5-bromanyl-2-methoxy-phenyl)methylamino]-5-fluoranyl-4-methyl-benzenecarbonitrile

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylamino]-5-fluoranyl-4-methyl-benzenecarbonitrile Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylamino]-5-fluoro-4-methyl-benzonitrile CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylamino]-5-fluoro-4-methylbenzonitrile IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylamino]-5-fluoro-4-methylbenzonitrile Traditional Name: 3-[(5-bromo-2-methoxy-benzyl)amino]-5-fluoro-4-methyl-benzonitrile Formula: C16H14BrFN2O MolecularWeight: 349.197563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C#N)NCC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=C(C=C(C=C1F)C#N)NCC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C16H14BrFN2O/c1-10-14(18)5-11(8-19)6-15(10)20-9-12-7-13(17)3-4-16(12)21-2/h3-7,20H,9H2,1-2H3