5-chloranyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3-(4-methylphenyl)-1-benzofuran-2-one hydrochloride

Systemtic Name: 5-chloranyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3-(4-methylphenyl)-1-benzofuran-2-one hydrochloride Openeye Name: 5-chloro-3-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-3-(p-tolyl)benzofuran-2-one hydrochloride CAS Name: 5-chloro-3-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]-3-(4-methylphenyl)-2-benzofuranone hydrochloride IUPAC Name: 5-chloro-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-1-benzofuran-2-one hydrochloride Traditional Name: 5-chloro-3-[2-(4-ethylpiperazino)-2-keto-ethyl]-3-(p-tolyl)coumaran-2-one hydrochloride Formula: C23H26Cl2N2O3 MolecularWeight: 449.37014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CC2(C3=C(C=CC(=C3)Cl)OC2=O)C4=CC=C(C=C4)C.Cl

Isomeric SMILES

CCN1CCN(CC1)C(=O)CC2(C3=C(C=CC(=C3)Cl)OC2=O)C4=CC=C(C=C4)C.Cl

InChI

InChI=1S/C23H25ClN2O3.ClH/c1-3-25-10-12-26(13-11-25)21(27)15-23(17-6-4-16(2)5-7-17)19-14-18(24)8-9-20(19)29-22(23)28;/h4-9,14H,3,10-13,15H2,1-2H3;1H