N-(3-fluorophenyl)-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-fluorophenyl)-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(3-fluorophenyl)-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-fluorophenyl)-4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-fluorophenyl)-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(3-fluorophenyl)-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Formula: C28H28FN3O2 MolecularWeight: 457.539223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C(=O)NC5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C(=O)NC5=CC(=CC=C5)F

InChI

InChI=1S/C28H28FN3O2/c1-20-6-8-21(9-7-20)22-10-11-27-23(16-22)17-26(34-27)19-31-12-3-13-32(15-14-31)28(33)30-25-5-2-4-24(29)18-25/h2,4-11,16-18H,3,12-15,19H2,1H3,(H,30,33)