5-[4-[2-(4-fluoranylphenoxy)ethyl]-1,4-diazepan-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(4-fluoranylphenoxy)ethyl]-1,4-diazepan-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]-2-isopropyl-2-phenyl-valeronitrile Formula: C27H36FN3O MolecularWeight: 437.592643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCCN(CC1)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCCN(CC1)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H36FN3O/c1-23(2)27(22-29,24-8-4-3-5-9-24)14-6-15-30-16-7-17-31(19-18-30)20-21-32-26-12-10-25(28)11-13-26/h3-5,8-13,23H,6-7,14-21H2,1-2H3