5-(diphenethylamino)-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]heptanenitrile

Systemtic Name: 5-(diphenethylamino)-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]heptanenitrile Openeye Name: 5-(diphenethylamino)-2-isopropyl-2-[4-(trifluoromethyl)phenyl]heptanenitrile CAS Name: 5-(diphenethylamino)-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]heptanenitrile IUPAC Name: 5-(diphenethylamino)-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]heptanenitrile Traditional Name: 5-(diphenethylamino)-2-isopropyl-2-[4-(trifluoromethyl)phenyl]enanthonitrile Formula: C33H39F3N2 MolecularWeight: 520.67137

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C#N)(C1=CC=C(C=C1)C(F)(F)F)C(C)C)N(CCC2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

CCC(CCC(C#N)(C1=CC=C(C=C1)C(F)(F)F)C(C)C)N(CCC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C33H39F3N2/c1-4-31(19-22-32(25-37,26(2)3)29-15-17-30(18-16-29)33(34,35)36)38(23-20-27-11-7-5-8-12-27)24-21-28-13-9-6-10-14-28/h5-18,26,31H,4,19-24H2,1-3H3