1-[[5-chloranyl-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperazine

Systemtic Name: 1-[[5-chloranyl-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperazine Openeye Name: 1-[[5-chloro-7-(2,6-dimethylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]piperazine CAS Name: 1-[[5-chloro-7-(2,6-dimethylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]piperazine IUPAC Name: 1-[[5-chloro-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperazine Traditional Name: 1-[[5-chloro-7-(2,6-dimethylphenyl)coumaran-2-yl]methyl]piperazine Formula: C21H25ClN2O MolecularWeight: 356.889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=CC(=CC3=C2OC(C3)CN4CCNCC4)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=CC(=CC3=C2OC(C3)CN4CCNCC4)Cl

InChI

InChI=1S/C21H25ClN2O/c1-14-4-3-5-15(2)20(14)19-12-17(22)10-16-11-18(25-21(16)19)13-24-8-6-23-7-9-24/h3-5,10,12,18,23H,6-9,11,13H2,1-2H3