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

Systemtic Name: 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepane Openeye Name: 1-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepane CAS Name: 1-[[5-(2-methoxyphenyl)-2-benzofuranyl]methyl]-4-(4-methoxy-2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepane Traditional Name: 1-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepane Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC=CC=C5OC

Isomeric SMILES

COC1=NC(=NC=C1)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC=CC=C5OC

InChI

InChI=1S/C26H28N4O3/c1-31-24-7-4-3-6-22(24)19-8-9-23-20(16-19)17-21(33-23)18-29-12-5-13-30(15-14-29)26-27-11-10-25(28-26)32-2/h3-4,6-11,16-17H,5,12-15,18H2,1-2H3