7-(3-ethanoylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-2-thiophen-2-yl-heptanenitrile

Systemtic Name: 7-(3-ethanoylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-2-thiophen-2-yl-heptanenitrile Openeye Name: 7-(3-acetylphenoxy)-2-isopropyl-6-piperazin-1-yl-2-(2-thienyl)heptanenitrile CAS Name: 7-(3-acetylphenoxy)-6-(1-piperazinyl)-2-propan-2-yl-2-thiophen-2-ylheptanenitrile IUPAC Name: 7-(3-acetylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-2-thiophen-2-ylheptanenitrile Traditional Name: 7-(3-acetylphenoxy)-2-isopropyl-6-piperazino-2-(2-thienyl)enanthonitrile Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=CC(=C1)C(=O)C)N2CCNCC2)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=CC(=C1)C(=O)C)N2CCNCC2)(C#N)C3=CC=CS3

InChI

InChI=1S/C26H35N3O2S/c1-20(2)26(19-27,25-10-6-16-32-25)11-5-8-23(29-14-12-28-13-15-29)18-31-24-9-4-7-22(17-24)21(3)30/h4,6-7,9-10,16-17,20,23,28H,5,8,11-15,18H2,1-3H3