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

Systemtic Name: 2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclobutyl-5-[(phenylmethyl)-propyl-amino]pentanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclobutyl-pentanenitrile CAS Name: 2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclobutyl-5-[(phenylmethyl)-propylamino]pentanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclobutylpentanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclobutyl-valeronitrile Formula: C27H30F6N2 MolecularWeight: 496.530919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30F6N2/c1-2-15-35(18-20-8-4-3-5-9-20)16-7-14-25(19-34,21-10-6-11-21)22-12-13-23(26(28,29)30)24(17-22)27(31,32)33/h3-5,8-9,12-13,17,21H,2,6-7,10-11,14-16,18H2,1H3