4-[3-cyano-8-(4-fluoranylphenoxy)-2-methyl-7-piperazin-1-yl-octan-3-yl]benzenecarbonitrile

Systemtic Name: 4-[3-cyano-8-(4-fluoranylphenoxy)-2-methyl-7-piperazin-1-yl-octan-3-yl]benzenecarbonitrile Openeye Name: 4-[1-cyano-6-(4-fluorophenoxy)-1-isopropyl-5-piperazin-1-yl-hexyl]benzonitrile CAS Name: 4-[3-cyano-8-(4-fluorophenoxy)-2-methyl-7-(1-piperazinyl)octan-3-yl]benzonitrile IUPAC Name: 4-[3-cyano-8-(4-fluorophenoxy)-2-methyl-7-piperazin-1-yloctan-3-yl]benzonitrile Traditional Name: 4-[1-cyano-6-(4-fluorophenoxy)-1-isopropyl-5-piperazino-hexyl]benzonitrile Formula: C27H33FN4O MolecularWeight: 448.575523

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C27H33FN4O/c1-21(2)27(20-30,23-7-5-22(18-29)6-8-23)13-3-4-25(32-16-14-31-15-17-32)19-33-26-11-9-24(28)10-12-26/h5-12,21,25,31H,3-4,13-17,19H2,1-2H3