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

Systemtic Name: 2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopropyl-5-[(phenylmethyl)-propyl-amino]pentanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopropyl-pentanenitrile CAS Name: 2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopropyl-5-[(phenylmethyl)-propylamino]pentanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopropylpentanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopropyl-valeronitrile Formula: C26H28F6N2 MolecularWeight: 482.504339

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(C#N)(C1CC1)C2=CC(=C(C=C2)C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCCC(C#N)(C1CC1)C2=CC(=C(C=C2)C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C26H28F6N2/c1-2-14-34(17-19-7-4-3-5-8-19)15-6-13-24(18-33,20-9-10-20)21-11-12-22(25(27,28)29)23(16-21)26(30,31)32/h3-5,7-8,11-12,16,20H,2,6,9-10,13-15,17H2,1H3