2-phenyl-6-piperazin-1-yl-2-propan-2-yl-7-[4-(trifluoromethyl)phenoxy]heptanenitrile

Systemtic Name: 2-phenyl-6-piperazin-1-yl-2-propan-2-yl-7-[4-(trifluoromethyl)phenoxy]heptanenitrile Openeye Name: 2-isopropyl-2-phenyl-6-piperazin-1-yl-7-[4-(trifluoromethyl)phenoxy]heptanenitrile CAS Name: 2-phenyl-6-(1-piperazinyl)-2-propan-2-yl-7-[4-(trifluoromethyl)phenoxy]heptanenitrile IUPAC Name: 2-phenyl-6-piperazin-1-yl-2-propan-2-yl-7-[4-(trifluoromethyl)phenoxy]heptanenitrile Traditional Name: 2-isopropyl-2-phenyl-6-piperazino-7-[4-(trifluoromethyl)phenoxy]enanthonitrile Formula: C27H34F3N3O MolecularWeight: 473.57357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=C(C=C1)C(F)(F)F)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=C(C=C1)C(F)(F)F)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H34F3N3O/c1-21(2)26(20-31,22-7-4-3-5-8-22)14-6-9-24(33-17-15-32-16-18-33)19-34-25-12-10-23(11-13-25)27(28,29)30/h3-5,7-8,10-13,21,24,32H,6,9,14-19H2,1-2H3