7-(4-fluoranylphenoxy)-2-[4-[(E)-hydroxyiminomethyl]phenyl]-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-(4-fluoranylphenoxy)-2-[4-[(E)-hydroxyiminomethyl]phenyl]-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(4-fluorophenoxy)-2-[4-[(E)-hydroxyiminomethyl]phenyl]-2-isopropyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-(4-fluorophenoxy)-2-[4-[(E)-hydroxyiminomethyl]phenyl]-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(4-fluorophenoxy)-2-[4-[(E)-hydroxyiminomethyl]phenyl]-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-(4-fluorophenoxy)-2-[4-[(E)-hydroximinomethyl]phenyl]-2-isopropyl-6-piperazino-enanthonitrile Formula: C27H35FN4O2 MolecularWeight: 466.590803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=C(C=C3)C=NO

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=C(C=C3)/C=N/O

InChI

InChI=1S/C27H35FN4O2/c1-21(2)27(20-29,23-7-5-22(6-8-23)18-31-33)13-3-4-25(32-16-14-30-15-17-32)19-34-26-11-9-24(28)10-12-26/h5-12,18,21,25,30,33H,3-4,13-17,19H2,1-2H3/b31-18+