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

Systemtic Name: 4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzenecarbonitrile hydrochloride Openeye Name: 4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzonitrile hydrochloride CAS Name: 4-(4-tert-butylcyclohexyl)-3-(4-butyl-1-piperazinyl)benzonitrile hydrochloride IUPAC Name: 4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzonitrile hydrochloride Traditional Name: 4-(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=C(C=CC(=C2)C#N)C3CCC(CC3)C(C)(C)C.Cl

Isomeric SMILES

CCCCN1CCN(CC1)C2=C(C=CC(=C2)C#N)C3CCC(CC3)C(C)(C)C.Cl

InChI

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