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

Systemtic Name: 2-cyclopentyl-5-[methyl-(phenylmethyl)amino]-2-[4-(trifluoromethyl)phenyl]heptanenitrile Openeye Name: 5-[benzyl(methyl)amino]-2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]heptanenitrile CAS Name: 2-cyclopentyl-5-[methyl-(phenylmethyl)amino]-2-[4-(trifluoromethyl)phenyl]heptanenitrile IUPAC Name: 5-[benzyl(methyl)amino]-2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]heptanenitrile Traditional Name: 5-[benzyl(methyl)amino]-2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]enanthonitrile Formula: C27H33F3N2 MolecularWeight: 442.55953

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C#N)(C1CCCC1)C2=CC=C(C=C2)C(F)(F)F)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCC(CCC(C#N)(C1CCCC1)C2=CC=C(C=C2)C(F)(F)F)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C27H33F3N2/c1-3-25(32(2)19-21-9-5-4-6-10-21)17-18-26(20-31,22-11-7-8-12-22)23-13-15-24(16-14-23)27(28,29)30/h4-6,9-10,13-16,22,25H,3,7-8,11-12,17-19H2,1-2H3