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

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-2-cyclobutyl-5-[(phenylmethyl)-propyl-amino]heptanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(3,4-difluorophenyl)heptanenitrile CAS Name: 2-cyclobutyl-2-(3,4-difluorophenyl)-5-[(phenylmethyl)-propylamino]heptanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(3,4-difluorophenyl)heptanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(3,4-difluorophenyl)enanthonitrile Formula: C27H34F2N2 MolecularWeight: 424.569066

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(CC)CCC(C#N)(C2CCC2)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(CC)CCC(C#N)(C2CCC2)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C27H34F2N2/c1-3-17-31(19-21-9-6-5-7-10-21)24(4-2)15-16-27(20-30,22-11-8-12-22)23-13-14-25(28)26(29)18-23/h5-7,9-10,13-14,18,22,24H,3-4,8,11-12,15-17,19H2,1-2H3