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

Systemtic Name: 7-(3-bromanylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-2-thiophen-2-yl-heptanenitrile Openeye Name: 7-(3-bromophenoxy)-2-isopropyl-6-piperazin-1-yl-2-(2-thienyl)heptanenitrile CAS Name: 7-(3-bromophenoxy)-6-(1-piperazinyl)-2-propan-2-yl-2-thiophen-2-ylheptanenitrile IUPAC Name: 7-(3-bromophenoxy)-6-piperazin-1-yl-2-propan-2-yl-2-thiophen-2-ylheptanenitrile Traditional Name: 7-(3-bromophenoxy)-2-isopropyl-6-piperazino-2-(2-thienyl)enanthonitrile Formula: C24H32BrN3OS MolecularWeight: 490.49938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32BrN3OS/c1-19(2)24(18-26,23-9-5-15-30-23)10-4-7-21(28-13-11-27-12-14-28)17-29-22-8-3-6-20(25)16-22/h3,5-6,8-9,15-16,19,21,27H,4,7,10-14,17H2,1-2H3