2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopentyl-5-[(phenylmethyl)-propyl-amino]pentanenitrile

Systemtic Name: 2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopentyl-5-[(phenylmethyl)-propyl-amino]pentanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopentyl-pentanenitrile CAS Name: 2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopentyl-5-[(phenylmethyl)-propylamino]pentanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-[3,4-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=CC(=C(C=C2)C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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