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

Systemtic Name: 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane Openeye Name: 1-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane CAS Name: 1-[[5-(2-methoxyphenyl)-2-benzofuranyl]methyl]-4-(2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane Traditional Name: 1-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-4-(2-pyrimidyl)-1,4-diazepane Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H26N4O2/c1-30-24-7-3-2-6-22(24)19-8-9-23-20(16-19)17-21(31-23)18-28-12-5-13-29(15-14-28)25-26-10-4-11-27-25/h2-4,6-11,16-17H,5,12-15,18H2,1H3