2-cyclohexyl-5-[ethyl-(phenylmethyl)amino]-2-(4-fluorophenyl)heptanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C#N)(C1CCCCC1)C2=CC=C(C=C2)F)N(CC)CC3=CC=CC=C3

Isomeric SMILES

CCC(CCC(C#N)(C1CCCCC1)C2=CC=C(C=C2)F)N(CC)CC3=CC=CC=C3

InChI

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