1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane

Systemtic Name: 1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane Openeye Name: 1-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane Traditional Name: 1-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C21H24N2O MolecularWeight: 320.42806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCNCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCNCC4

InChI

InChI=1S/C21H24N2O/c1-16-3-5-17(6-4-16)18-7-8-21-19(13-18)14-20(24-21)15-23-11-2-9-22-10-12-23/h3-8,13-14,22H,2,9-12,15H2,1H3