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

Systemtic Name: 5-chloranyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-1-benzofuran-2-one hydrochloride Openeye Name: 5-chloro-3-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]-3H-benzofuran-2-one hydrochloride CAS Name: 5-chloro-3-[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-3H-benzofuran-2-one hydrochloride IUPAC Name: 5-chloro-3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3H-1-benzofuran-2-one hydrochloride Traditional Name: 5-chloro-3-[2-keto-2-[4-(m-tolyl)piperazino]ethyl]coumaran-2-one hydrochloride Formula: C21H22Cl2N2O3 MolecularWeight: 421.31698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CC3C4=C(C=CC(=C4)Cl)OC3=O.Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CC3C4=C(C=CC(=C4)Cl)OC3=O.Cl

InChI

InChI=1S/C21H21ClN2O3.ClH/c1-14-3-2-4-16(11-14)23-7-9-24(10-8-23)20(25)13-18-17-12-15(22)5-6-19(17)27-21(18)26;/h2-6,11-12,18H,7-10,13H2,1H3;1H