2-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzenecarbonitrile hydrochloride

Systemtic Name: 2-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzenecarbonitrile hydrochloride Openeye Name: 2-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzonitrile hydrochloride CAS Name: 2-(4-tert-butylcyclohexyl)-3-(4-butyl-1-piperazinyl)benzonitrile hydrochloride IUPAC Name: 2-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzonitrile hydrochloride Traditional Name: 2-(4-tert-butylcyclohexyl)-3-(4-butylpiperazino)benzonitrile hydrochloride Formula: C25H40ClN3 MolecularWeight: 418.0582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=CC=CC(=C2C3CCC(CC3)C(C)(C)C)C#N.Cl

Isomeric SMILES

CCCCN1CCN(CC1)C2=CC=CC(=C2C3CCC(CC3)C(C)(C)C)C#N.Cl

InChI

InChI=1S/C25H39N3.ClH/c1-5-6-14-27-15-17-28(18-16-27)23-9-7-8-21(19-26)24(23)20-10-12-22(13-11-20)25(2,3)4;/h7-9,20,22H,5-6,10-18H2,1-4H3;1H