1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(2,3-dihydrobenzofuran-5-yl)propan-1-one dihydrochloride CAS Name: 1-(2,3-dihydrobenzofuran-5-yl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-coumaran-5-yl-propan-1-one dihydrochloride Formula: C22H28Cl2N2O2 MolecularWeight: 423.37592

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C22H26N2O2.2ClH/c25-21(19-6-7-22-20(16-19)9-15-26-22)8-10-23-11-13-24(14-12-23)17-18-4-2-1-3-5-18;;/h1-7,16H,8-15,17H2;2*1H