2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclohexyl-5-[(phenylmethyl)-propyl-amino]pentanenitrile

Systemtic Name: 2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclohexyl-5-[(phenylmethyl)-propyl-amino]pentanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclohexyl-pentanenitrile CAS Name: 2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclohexyl-5-[(phenylmethyl)-propylamino]pentanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclohexylpentanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclohexyl-valeronitrile Formula: C29H34F6N2 MolecularWeight: 524.584079

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(C#N)(C1CCCCC1)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCCC(C#N)(C1CCCCC1)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C29H34F6N2/c1-2-18-37(20-22-11-5-3-6-12-22)19-10-17-27(21-36,23-13-7-4-8-14-23)26-24(28(30,31)32)15-9-16-25(26)29(33,34)35/h3,5-6,9,11-12,15-16,23H,2,4,7-8,10,13-14,17-20H2,1H3