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

Systemtic Name: 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepane Openeye Name: 1-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepane CAS Name: 1-[[5-(3-fluorophenyl)-2-benzofuranyl]methyl]-4-(4-methoxy-2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepane Traditional Name: 1-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepane Formula: C25H25FN4O2 MolecularWeight: 432.490003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

Isomeric SMILES

COC1=NC(=NC=C1)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H25FN4O2/c1-31-24-8-9-27-25(28-24)30-11-3-10-29(12-13-30)17-22-16-20-14-19(6-7-23(20)32-22)18-4-2-5-21(26)15-18/h2,4-9,14-16H,3,10-13,17H2,1H3