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

Systemtic Name: 2-cyclobutyl-2-(2-fluorophenyl)-5-[(phenylmethyl)-propyl-amino]heptanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(2-fluorophenyl)heptanenitrile CAS Name: 2-cyclobutyl-2-(2-fluorophenyl)-5-[(phenylmethyl)-propylamino]heptanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(2-fluorophenyl)heptanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(2-fluorophenyl)enanthonitrile Formula: C27H35FN2 MolecularWeight: 406.578603

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(CC)CCC(C#N)(C2CCC2)C3=CC=CC=C3F

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(CC)CCC(C#N)(C2CCC2)C3=CC=CC=C3F

InChI

InChI=1S/C27H35FN2/c1-3-19-30(20-22-11-6-5-7-12-22)24(4-2)17-18-27(21-29,23-13-10-14-23)25-15-8-9-16-26(25)28/h5-9,11-12,15-16,23-24H,3-4,10,13-14,17-20H2,1-2H3