(5-bromanyl-1-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanyl-1-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromobenzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-2-benzofuranyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromo-1-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromobenzofuran-2-yl)-(4-p-anisyl-1,4-diazepan-1-yl)methanone Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C22H23BrN2O3/c1-27-19-6-3-16(4-7-19)15-24-9-2-10-25(12-11-24)22(26)21-14-17-13-18(23)5-8-20(17)28-21/h3-8,13-14H,2,9-12,15H2,1H3