2-cyclobutyl-5-[(phenylmethyl)-propyl-amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile

Systemtic Name: 2-cyclobutyl-5-[(phenylmethyl)-propyl-amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-[2-(trifluoromethyl)phenyl]pentanenitrile CAS Name: 2-cyclobutyl-5-[(phenylmethyl)-propylamino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-[2-(trifluoromethyl)phenyl]pentanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-[2-(trifluoromethyl)phenyl]valeronitrile Formula: C26H31F3N2 MolecularWeight: 428.53295

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(C#N)(C1CCC1)C2=CC=CC=C2C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCCC(C#N)(C1CCC1)C2=CC=CC=C2C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C26H31F3N2/c1-2-17-31(19-21-10-4-3-5-11-21)18-9-16-25(20-30,22-12-8-13-22)23-14-6-7-15-24(23)26(27,28)29/h3-7,10-11,14-15,22H,2,8-9,12-13,16-19H2,1H3