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

Systemtic Name: 2-(4-dimethylaminophenyl)-7-(4-fluoranylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 2-(4-dimethylaminophenyl)-7-(4-fluorophenoxy)-2-isopropyl-6-piperazin-1-yl-heptanenitrile CAS Name: 2-(4-dimethylaminophenyl)-7-(4-fluorophenoxy)-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 2-(4-dimethylaminophenyl)-7-(4-fluorophenoxy)-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 2-(4-dimethylaminophenyl)-7-(4-fluorophenoxy)-2-isopropyl-6-piperazino-enanthonitrile Formula: C28H39FN4O MolecularWeight: 466.633863

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H39FN4O/c1-22(2)28(21-30,23-7-11-25(12-8-23)32(3)4)15-5-6-26(33-18-16-31-17-19-33)20-34-27-13-9-24(29)10-14-27/h7-14,22,26,31H,5-6,15-20H2,1-4H3