5-[4-[2-[(4-fluorophenyl)-methyl-amino]ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-[(4-fluorophenyl)-methyl-amino]ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluoro-N-methyl-anilino)ethyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(4-fluoro-N-methylanilino)ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(4-fluoro-N-methylanilino)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(4-fluoro-N-methyl-anilino)ethyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C27H37FN4 MolecularWeight: 436.607883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCN(C)C2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCN(C)C2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H37FN4/c1-23(2)27(22-29,24-8-5-4-6-9-24)14-7-15-31-18-20-32(21-19-31)17-16-30(3)26-12-10-25(28)11-13-26/h4-6,8-13,23H,7,14-21H2,1-3H3