2-(4-aminophenyl)-7-(4-fluoranylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 2-(4-aminophenyl)-7-(4-fluoranylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 2-(4-aminophenyl)-7-(4-fluorophenoxy)-2-isopropyl-6-piperazin-1-yl-heptanenitrile CAS Name: 2-(4-aminophenyl)-7-(4-fluorophenoxy)-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 2-(4-aminophenyl)-7-(4-fluorophenoxy)-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 2-(4-aminophenyl)-7-(4-fluorophenoxy)-2-isopropyl-6-piperazino-enanthonitrile Formula: C26H35FN4O MolecularWeight: 438.580703

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C26H35FN4O/c1-20(2)26(19-28,21-5-9-23(29)10-6-21)13-3-4-24(31-16-14-30-15-17-31)18-32-25-11-7-22(27)8-12-25/h5-12,20,24,30H,3-4,13-18,29H2,1-2H3