2-azanyl-3-(1-azanyl-6-methyl-heptan-4-yl)-4-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-azanyl-3-(1-azanyl-6-methyl-heptan-4-yl)-4-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-amino-3-[1-(3-aminopropyl)-3-methyl-butyl]-4-(trifluoromethyl)benzonitrile CAS Name: 2-amino-3-(1-amino-6-methylheptan-4-yl)-4-(trifluoromethyl)benzonitrile IUPAC Name: 2-amino-3-(1-amino-6-methylheptan-4-yl)-4-(trifluoromethyl)benzonitrile Traditional Name: 2-amino-3-[1-(3-aminopropyl)-3-methyl-butyl]-4-(trifluoromethyl)benzonitrile Formula: C16H22F3N3 MolecularWeight: 313.36119

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCCN)C1=C(C=CC(=C1N)C#N)C(F)(F)F

Isomeric SMILES

CC(C)CC(CCCN)C1=C(C=CC(=C1N)C#N)C(F)(F)F

InChI

InChI=1S/C16H22F3N3/c1-10(2)8-11(4-3-7-20)14-13(16(17,18)19)6-5-12(9-21)15(14)22/h5-6,10-11H,3-4,7-8,20,22H2,1-2H3