3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-1-benzofuran-2-one hydrochloride

Systemtic Name: 3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-1-benzofuran-2-one hydrochloride Openeye Name: 3-[2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3H-benzofuran-2-one hydrochloride CAS Name: 3-[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-3H-benzofuran-2-one hydrochloride IUPAC Name: 3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3H-1-benzofuran-2-one hydrochloride Traditional Name: 3-[2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl]coumaran-2-one hydrochloride Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CC3C4=CC=CC=C4OC3=O.Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CC3C4=CC=CC=C4OC3=O.Cl

InChI

InChI=1S/C22H24N2O3.ClH/c1-16-5-4-6-17(13-16)15-23-9-11-24(12-10-23)21(25)14-19-18-7-2-3-8-20(18)27-22(19)26;/h2-8,13,19H,9-12,14-15H2,1H3;1H