3-fluoranyl-4-methyl-5-(1-phenylbutylamino)benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-methyl-5-(1-phenylbutylamino)benzenecarbonitrile Openeye Name: 3-fluoro-4-methyl-5-(1-phenylbutylamino)benzonitrile CAS Name: 3-fluoro-4-methyl-5-(1-phenylbutylamino)benzonitrile IUPAC Name: 3-fluoro-4-methyl-5-(1-phenylbutylamino)benzonitrile Traditional Name: 3-fluoro-4-methyl-5-(1-phenylbutylamino)benzonitrile Formula: C18H19FN2 MolecularWeight: 282.355263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC2=C(C(=CC(=C2)C#N)F)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC2=C(C(=CC(=C2)C#N)F)C

InChI

InChI=1S/C18H19FN2/c1-3-7-17(15-8-5-4-6-9-15)21-18-11-14(12-20)10-16(19)13(18)2/h4-6,8-11,17,21H,3,7H2,1-2H3