5-[4-[3-(4-fluorophenyl)-3-oxidanylidene-propyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[3-(4-fluorophenyl)-3-oxidanylidene-propyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[3-(4-fluorophenyl)-3-oxo-propyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[3-(4-fluorophenyl)-3-oxopropyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[3-(4-fluorophenyl)-3-oxopropyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[3-(4-fluorophenyl)-3-keto-propyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C27H34FN3O MolecularWeight: 435.576763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34FN3O/c1-22(2)27(21-29,24-7-4-3-5-8-24)14-6-15-30-17-19-31(20-18-30)16-13-26(32)23-9-11-25(28)12-10-23/h3-5,7-12,22H,6,13-20H2,1-2H3