4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-ethyl-chromen-2-one hydrochloride

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-ethyl-chromen-2-one hydrochloride Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-ethyl-chromen-2-one hydrochloride CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-6-ethyl-1-benzopyran-2-one hydrochloride IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-ethylchromen-2-one hydrochloride Traditional Name: 4-[[4-(3-chlorophenyl)piperazino]methyl]-6-ethyl-coumarin hydrochloride Formula: C22H24Cl2N2O2 MolecularWeight: 419.34416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)C4=CC(=CC=C4)Cl.Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)C4=CC(=CC=C4)Cl.Cl

InChI

InChI=1S/C22H23ClN2O2.ClH/c1-2-16-6-7-21-20(12-16)17(13-22(26)27-21)15-24-8-10-25(11-9-24)19-5-3-4-18(23)14-19;/h3-7,12-14H,2,8-11,15H2,1H3;1H