7-(4-fluoranyl-2-phenylmethoxy-phenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-(4-fluoranyl-2-phenylmethoxy-phenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(2-benzyloxy-4-fluoro-phenoxy)-2-isopropyl-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-(4-fluoro-2-phenylmethoxyphenoxy)-2-phenyl-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(4-fluoro-2-phenylmethoxyphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-(2-benzoxy-4-fluoro-phenoxy)-2-isopropyl-2-phenyl-6-piperazino-enanthonitrile Formula: C33H40FN3O2 MolecularWeight: 529.688003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=C(C=C(C=C1)F)OCC2=CC=CC=C2)N3CCNCC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCC(COC1=C(C=C(C=C1)F)OCC2=CC=CC=C2)N3CCNCC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C33H40FN3O2/c1-26(2)33(25-35,28-12-7-4-8-13-28)17-9-14-30(37-20-18-36-19-21-37)24-39-31-16-15-29(34)22-32(31)38-23-27-10-5-3-6-11-27/h3-8,10-13,15-16,22,26,30,36H,9,14,17-21,23-24H2,1-2H3