2-cyclopentyl-2-(4-fluorophenyl)-5-[(phenylmethyl)-propyl-amino]heptanenitrile

Systemtic Name: 2-cyclopentyl-2-(4-fluorophenyl)-5-[(phenylmethyl)-propyl-amino]heptanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(4-fluorophenyl)heptanenitrile CAS Name: 2-cyclopentyl-2-(4-fluorophenyl)-5-[(phenylmethyl)-propylamino]heptanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(4-fluorophenyl)heptanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(4-fluorophenyl)enanthonitrile Formula: C28H37FN2 MolecularWeight: 420.605183

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(CC)CCC(C#N)(C2CCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(CC)CCC(C#N)(C2CCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C28H37FN2/c1-3-20-31(21-23-10-6-5-7-11-23)27(4-2)18-19-28(22-30,24-12-8-9-13-24)25-14-16-26(29)17-15-25/h5-7,10-11,14-17,24,27H,3-4,8-9,12-13,18-21H2,1-2H3