7-(2,3-dimethoxyphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-(2,3-dimethoxyphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(2,3-dimethoxyphenoxy)-2-isopropyl-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-(2,3-dimethoxyphenoxy)-2-phenyl-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(2,3-dimethoxyphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-(2,3-dimethoxyphenoxy)-2-isopropyl-2-phenyl-6-piperazino-enanthonitrile Formula: C28H39N3O3 MolecularWeight: 465.62756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=CC(=C1OC)OC)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=CC(=C1OC)OC)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C28H39N3O3/c1-22(2)28(21-29,23-10-6-5-7-11-23)15-9-12-24(31-18-16-30-17-19-31)20-34-26-14-8-13-25(32-3)27(26)33-4/h5-8,10-11,13-14,22,24,30H,9,12,15-20H2,1-4H3