4-[[[1-(4-tert-butylphenyl)-2-methyl-propyl]amino]methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[[1-(4-tert-butylphenyl)-2-methyl-propyl]amino]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[[1-(4-tert-butylphenyl)-2-methyl-propyl]amino]methyl]-3-fluoro-benzonitrile CAS Name: 4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]-3-fluorobenzonitrile Traditional Name: 4-[[[1-(4-tert-butylphenyl)-2-methyl-propyl]amino]methyl]-3-fluoro-benzonitrile Formula: C22H27FN2 MolecularWeight: 338.461583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)C(C)(C)C)NCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)C(C)(C)C)NCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C22H27FN2/c1-15(2)21(17-8-10-19(11-9-17)22(3,4)5)25-14-18-7-6-16(13-24)12-20(18)23/h6-12,15,21,25H,14H2,1-5H3