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

Systemtic Name: 1-(4-methoxypyrimidin-2-yl)-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane Openeye Name: 1-(4-methoxypyrimidin-2-yl)-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-(4-methoxy-2-pyrimidinyl)-4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-(4-methoxypyrimidin-2-yl)-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane Traditional Name: 1-(4-methoxypyrimidin-2-yl)-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C26H28N4O2 MolecularWeight: 428.52612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C5=NC=CC(=N5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C5=NC=CC(=N5)OC

InChI

InChI=1S/C26H28N4O2/c1-19-4-6-20(7-5-19)21-8-9-24-22(16-21)17-23(32-24)18-29-12-3-13-30(15-14-29)26-27-11-10-25(28-26)31-2/h4-11,16-17H,3,12-15,18H2,1-2H3