2-(2-methylphenyl)-5-(4-methylpiperazin-1-yl)-2-propan-2-yl-pentanenitrile dihydrochloride

Systemtic Name: 2-(2-methylphenyl)-5-(4-methylpiperazin-1-yl)-2-propan-2-yl-pentanenitrile dihydrochloride Openeye Name: 2-isopropyl-5-(4-methylpiperazin-1-yl)-2-(o-tolyl)pentanenitrile dihydrochloride CAS Name: 2-(2-methylphenyl)-5-(4-methyl-1-piperazinyl)-2-propan-2-ylpentanenitrile dihydrochloride IUPAC Name: 2-(2-methylphenyl)-5-(4-methylpiperazin-1-yl)-2-propan-2-ylpentanenitrile dihydrochloride Traditional Name: 2-isopropyl-5-(4-methylpiperazino)-2-(o-tolyl)valeronitrile dihydrochloride Formula: C20H33Cl2N3 MolecularWeight: 386.40212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCCN2CCN(CC2)C)(C#N)C(C)C.Cl.Cl

Isomeric SMILES

CC1=CC=CC=C1C(CCCN2CCN(CC2)C)(C#N)C(C)C.Cl.Cl

InChI

InChI=1S/C20H31N3.2ClH/c1-17(2)20(16-21,19-9-6-5-8-18(19)3)10-7-11-23-14-12-22(4)13-15-23;;/h5-6,8-9,17H,7,10-15H2,1-4H3;2*1H