2-cyclopropyl-5-[methyl-(phenylmethyl)amino]-2-[4-(trifluoromethyl)phenyl]heptanenitrile

Systemtic Name: 2-cyclopropyl-5-[methyl-(phenylmethyl)amino]-2-[4-(trifluoromethyl)phenyl]heptanenitrile Openeye Name: 5-[benzyl(methyl)amino]-2-cyclopropyl-2-[4-(trifluoromethyl)phenyl]heptanenitrile CAS Name: 2-cyclopropyl-5-[methyl-(phenylmethyl)amino]-2-[4-(trifluoromethyl)phenyl]heptanenitrile IUPAC Name: 5-[benzyl(methyl)amino]-2-cyclopropyl-2-[4-(trifluoromethyl)phenyl]heptanenitrile Traditional Name: 5-[benzyl(methyl)amino]-2-cyclopropyl-2-[4-(trifluoromethyl)phenyl]enanthonitrile Formula: C25H29F3N2 MolecularWeight: 414.50637

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C#N)(C1CC1)C2=CC=C(C=C2)C(F)(F)F)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCC(CCC(C#N)(C1CC1)C2=CC=C(C=C2)C(F)(F)F)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C25H29F3N2/c1-3-23(30(2)17-19-7-5-4-6-8-19)15-16-24(18-29,20-9-10-20)21-11-13-22(14-12-21)25(26,27)28/h4-8,11-14,20,23H,3,9-10,15-17H2,1-2H3