4-[(7-chloranyl-3,5-dimethyl-1-benzofuran-2-yl)carbonyl]-3-(phenylmethyl)piperazin-2-one

Systemtic Name: 4-[(7-chloranyl-3,5-dimethyl-1-benzofuran-2-yl)carbonyl]-3-(phenylmethyl)piperazin-2-one Openeye Name: 3-benzyl-4-(7-chloro-3,5-dimethyl-benzofuran-2-carbonyl)piperazin-2-one CAS Name: 4-[(7-chloro-3,5-dimethyl-2-benzofuranyl)-oxomethyl]-3-(phenylmethyl)-2-piperazinone IUPAC Name: 3-benzyl-4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-2-one Traditional Name: 3-benzyl-4-(7-chloro-3,5-dimethyl-benzofuran-2-carbonyl)piperazin-2-one Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(O2)C(=O)N3CCNC(=O)C3CC4=CC=CC=C4)C)Cl

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(O2)C(=O)N3CCNC(=O)C3CC4=CC=CC=C4)C)Cl

InChI

InChI=1S/C22H21ClN2O3/c1-13-10-16-14(2)19(28-20(16)17(23)11-13)22(27)25-9-8-24-21(26)18(25)12-15-6-4-3-5-7-15/h3-7,10-11,18H,8-9,12H2,1-2H3,(H,24,26)