5-[4-(2-phenoxyethyl)piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-[4-(2-phenoxyethyl)piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-(2-phenoxyethyl)piperazin-1-yl]-2-(2-thienyl)pentanenitrile CAS Name: 5-[4-(2-phenoxyethyl)-1-piperazinyl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[4-(2-phenoxyethyl)piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-(2-phenoxyethyl)piperazino]-2-(2-thienyl)valeronitrile Formula: C24H33N3OS MolecularWeight: 411.60332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC=C2)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC=C2)(C#N)C3=CC=CS3

InChI

InChI=1S/C24H33N3OS/c1-21(2)24(20-25,23-10-6-19-29-23)11-7-12-26-13-15-27(16-14-26)17-18-28-22-8-4-3-5-9-22/h3-6,8-10,19,21H,7,11-18H2,1-2H3