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

Systemtic Name: 2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentyl-5-[(phenylmethyl)-propyl-amino]pentanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentyl-pentanenitrile CAS Name: 2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentyl-5-[(phenylmethyl)-propylamino]pentanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentyl-valeronitrile Formula: C28H32F6N2 MolecularWeight: 510.557499

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(C#N)(C1CCCC1)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCCC(C#N)(C1CCCC1)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C28H32F6N2/c1-2-17-36(19-21-10-4-3-5-11-21)18-9-16-26(20-35,22-12-6-7-13-22)25-23(27(29,30)31)14-8-15-24(25)28(32,33)34/h3-5,8,10-11,14-15,22H,2,6-7,9,12-13,16-19H2,1H3