5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-isopropyl-2-(o-tolyl)pentanenitrile CAS Name: 5-[4-(2-hydroxyethyl)-1-piperazinyl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-(2-hydroxyethyl)piperazino]-2-isopropyl-2-(o-tolyl)valeronitrile Formula: C21H33N3O MolecularWeight: 343.50622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCCN2CCN(CC2)CCO)(C#N)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(CCCN2CCN(CC2)CCO)(C#N)C(C)C

InChI

InChI=1S/C21H33N3O/c1-18(2)21(17-22,20-8-5-4-7-19(20)3)9-6-10-23-11-13-24(14-12-23)15-16-25/h4-5,7-8,18,25H,6,9-16H2,1-3H3