3-(2,6-dimethylheptan-4-ylamino)-5-fluoranyl-4-methyl-benzenecarbonitrile

Systemtic Name: 3-(2,6-dimethylheptan-4-ylamino)-5-fluoranyl-4-methyl-benzenecarbonitrile Openeye Name: 3-fluoro-5-[(1-isobutyl-3-methyl-butyl)amino]-4-methyl-benzonitrile CAS Name: 3-(2,6-dimethylheptan-4-ylamino)-5-fluoro-4-methylbenzonitrile IUPAC Name: 3-(2,6-dimethylheptan-4-ylamino)-5-fluoro-4-methylbenzonitrile Traditional Name: 3-fluoro-5-[(1-isobutyl-3-methyl-butyl)amino]-4-methyl-benzonitrile Formula: C17H25FN2 MolecularWeight: 276.392203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C#N)NC(CC(C)C)CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1F)C#N)NC(CC(C)C)CC(C)C

InChI

InChI=1S/C17H25FN2/c1-11(2)6-15(7-12(3)4)20-17-9-14(10-19)8-16(18)13(17)5/h8-9,11-12,15,20H,6-7H2,1-5H3