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

Systemtic Name: 5-chloranyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-phenyl-1-benzofuran-2-one hydrochloride Openeye Name: 5-chloro-3-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-benzofuran-2-one hydrochloride CAS Name: 5-chloro-3-[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-3-phenyl-2-benzofuranone hydrochloride IUPAC Name: 5-chloro-3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-1-benzofuran-2-one hydrochloride Traditional Name: 5-chloro-3-[2-keto-2-[4-(m-tolyl)piperazino]ethyl]-3-phenyl-coumaran-2-one hydrochloride Formula: C27H26Cl2N2O3 MolecularWeight: 497.41294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CC3(C4=C(C=CC(=C4)Cl)OC3=O)C5=CC=CC=C5.Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CC3(C4=C(C=CC(=C4)Cl)OC3=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C27H25ClN2O3.ClH/c1-19-6-5-9-22(16-19)29-12-14-30(15-13-29)25(31)18-27(20-7-3-2-4-8-20)23-17-21(28)10-11-24(23)33-26(27)32;/h2-11,16-17H,12-15,18H2,1H3;1H