1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]azepane hydrochloride

Systemtic Name: 1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]azepane hydrochloride Openeye Name: 1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]azepane hydrochloride CAS Name: 1-[4-(4-butyl-1-piperazinyl)-3-(4,4-dimethylcyclohexyl)phenyl]azepane hydrochloride IUPAC Name: 1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]azepane hydrochloride Traditional Name: 1-[4-(4-butylpiperazino)-3-(4,4-dimethylcyclohexyl)phenyl]azepane hydrochloride Formula: C28H48ClN3 MolecularWeight: 462.15382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=C(C=C(C=C2)N3CCCCCC3)C4CCC(CC4)(C)C.Cl

Isomeric SMILES

CCCCN1CCN(CC1)C2=C(C=C(C=C2)N3CCCCCC3)C4CCC(CC4)(C)C.Cl

InChI

InChI=1S/C28H47N3.ClH/c1-4-5-16-29-19-21-31(22-20-29)27-11-10-25(30-17-8-6-7-9-18-30)23-26(27)24-12-14-28(2,3)15-13-24;/h10-11,23-24H,4-9,12-22H2,1-3H3;1H