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

Systemtic Name: 1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane Openeye Name: 1-[[5-(p-tolyl)benzofuran-2-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane CAS Name: 1-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-4-(2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane Traditional Name: 1-[[5-(p-tolyl)benzofuran-2-yl]methyl]-4-(2-pyrimidyl)-1,4-diazepane Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O/c1-19-4-6-20(7-5-19)21-8-9-24-22(16-21)17-23(30-24)18-28-12-3-13-29(15-14-28)25-26-10-2-11-27-25/h2,4-11,16-17H,3,12-15,18H2,1H3