N-(2-methoxydibenzofuran-3-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2-methoxydibenzofuran-3-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide CAS Name: N-(2-methoxy-3-dibenzofuranyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide Formula: C27H29N3O3 MolecularWeight: 443.53746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CN4CCCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CN4CCCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O3/c1-32-26-16-22-21-10-5-6-11-24(21)33-25(22)17-23(26)28-27(31)19-30-13-7-12-29(14-15-30)18-20-8-3-2-4-9-20/h2-6,8-11,16-17H,7,12-15,18-19H2,1H3,(H,28,31)