2-phenoxy-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one hydrochloride

Systemtic Name: 2-phenoxy-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one hydrochloride Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-phenoxy-butan-1-one hydrochloride CAS Name: 2-phenoxy-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone hydrochloride IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-phenoxybutan-1-one hydrochloride Traditional Name: 1-(4-benzylpiperazino)-2-phenoxy-butan-1-one hydrochloride Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC=CC=C3.Cl

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H26N2O2.ClH/c1-2-20(25-19-11-7-4-8-12-19)21(24)23-15-13-22(14-16-23)17-18-9-5-3-6-10-18;/h3-12,20H,2,13-17H2,1H3;1H