2-(4-butoxy-3-methyl-phenyl)-1-(4-phenethylpiperazin-1-yl)ethanone hydrochloride

Systemtic Name: 2-(4-butoxy-3-methyl-phenyl)-1-(4-phenethylpiperazin-1-yl)ethanone hydrochloride Openeye Name: 2-(4-butoxy-3-methyl-phenyl)-1-(4-phenethylpiperazin-1-yl)ethanone hydrochloride CAS Name: 2-(4-butoxy-3-methylphenyl)-1-(4-phenethyl-1-piperazinyl)ethanone hydrochloride IUPAC Name: 2-(4-butoxy-3-methylphenyl)-1-(4-phenethylpiperazin-1-yl)ethanone hydrochloride Traditional Name: 2-(4-butoxy-3-methyl-phenyl)-1-(4-phenethylpiperazino)ethanone hydrochloride Formula: C25H35ClN2O2 MolecularWeight: 431.0106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CCC3=CC=CC=C3)C.Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CCC3=CC=CC=C3)C.Cl

InChI

InChI=1S/C25H34N2O2.ClH/c1-3-4-18-29-24-11-10-23(19-21(24)2)20-25(28)27-16-14-26(15-17-27)13-12-22-8-6-5-7-9-22;/h5-11,19H,3-4,12-18,20H2,1-2H3;1H