2-cyclopropyl-5-[ethyl(phenethyl)amino]-2-[4-(trifluoromethyl)phenyl]heptanenitrile

Systemtic Name: 2-cyclopropyl-5-[ethyl(phenethyl)amino]-2-[4-(trifluoromethyl)phenyl]heptanenitrile Openeye Name: 2-cyclopropyl-5-[ethyl(phenethyl)amino]-2-[4-(trifluoromethyl)phenyl]heptanenitrile CAS Name: 2-cyclopropyl-5-[ethyl(phenethyl)amino]-2-[4-(trifluoromethyl)phenyl]heptanenitrile IUPAC Name: 2-cyclopropyl-5-[ethyl(phenethyl)amino]-2-[4-(trifluoromethyl)phenyl]heptanenitrile Traditional Name: 2-cyclopropyl-5-[ethyl(phenethyl)amino]-2-[4-(trifluoromethyl)phenyl]enanthonitrile Formula: C27H33F3N2 MolecularWeight: 442.55953

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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(CC)CCC3=CC=CC=C3

Isomeric SMILES

CCC(CCC(C#N)(C1CC1)C2=CC=C(C=C2)C(F)(F)F)N(CC)CCC3=CC=CC=C3

InChI

InChI=1S/C27H33F3N2/c1-3-25(32(4-2)19-17-21-8-6-5-7-9-21)16-18-26(20-31,22-10-11-22)23-12-14-24(15-13-23)27(28,29)30/h5-9,12-15,22,25H,3-4,10-11,16-19H2,1-2H3