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

Systemtic Name: 1-(4-methoxypyrimidin-2-yl)-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-(4-methoxypyrimidin-2-yl)-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-(4-methoxy-2-pyrimidinyl)-4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-(4-methoxypyrimidin-2-yl)-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(4-methoxypyrimidin-2-yl)-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O2/c1-30-23-7-9-26-24(27-23)29-11-3-10-28(12-13-29)17-21-15-20-14-18(5-6-22(20)31-21)19-4-2-8-25-16-19/h2,4-9,14-16H,3,10-13,17H2,1H3