2-cyclobutyl-5-[(phenylmethyl)-propyl-amino]-2-[4-(trifluoromethyl)phenyl]pentanenitrile

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

Isomeric SMILES

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

InChI

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