4-(4-butylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)benzenecarbonitrile hydrochloride

Systemtic Name: 4-(4-butylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)benzenecarbonitrile hydrochloride Openeye Name: 4-(4-butylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)benzonitrile hydrochloride CAS Name: 4-(4-butyl-1-piperazinyl)-3-(3,3,5,5-tetramethylcyclohexyl)benzonitrile hydrochloride IUPAC Name: 4-(4-butylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)benzonitrile hydrochloride Traditional Name: 4-(4-butylpiperazino)-3-(3,3,5,5-tetramethylcyclohexyl)benzonitrile hydrochloride Formula: C25H40ClN3 MolecularWeight: 418.0582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=C(C=C(C=C2)C#N)C3CC(CC(C3)(C)C)(C)C.Cl

Isomeric SMILES

CCCCN1CCN(CC1)C2=C(C=C(C=C2)C#N)C3CC(CC(C3)(C)C)(C)C.Cl

InChI

InChI=1S/C25H39N3.ClH/c1-6-7-10-27-11-13-28(14-12-27)23-9-8-20(18-26)15-22(23)21-16-24(2,3)19-25(4,5)17-21;/h8-9,15,21H,6-7,10-14,16-17,19H2,1-5H3;1H