(3S)-3-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]phthalide Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C[C@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H21ClN2O3/c1-14-6-7-15(22)12-18(14)23-8-10-24(11-9-23)20(25)13-19-16-4-2-3-5-17(16)21(26)27-19/h2-7,12,19H,8-11,13H2,1H3/t19-/m0/s1