2-[3,4-bis(fluoranyl)phenyl]-2-cyclopentyl-5-[(phenylmethyl)-propyl-amino]heptanenitrile

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-2-cyclopentyl-5-[(phenylmethyl)-propyl-amino]heptanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(3,4-difluorophenyl)heptanenitrile CAS Name: 2-cyclopentyl-2-(3,4-difluorophenyl)-5-[(phenylmethyl)-propylamino]heptanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(3,4-difluorophenyl)heptanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(3,4-difluorophenyl)enanthonitrile Formula: C28H36F2N2 MolecularWeight: 438.595646

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C28H36F2N2/c1-3-18-32(20-22-10-6-5-7-11-22)25(4-2)16-17-28(21-31,23-12-8-9-13-23)24-14-15-26(29)27(30)19-24/h5-7,10-11,14-15,19,23,25H,3-4,8-9,12-13,16-18,20H2,1-2H3