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

Systemtic Name: 1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane Openeye Name: 1-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane CAS Name: 1-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-4-(2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane Traditional Name: 1-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-4-(2-pyrimidyl)-1,4-diazepane Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=CC=N2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C2=NC=CC=N2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

InChI

InChI=1S/C23H23N5O/c1-4-19(16-24-7-1)18-5-6-22-20(14-18)15-21(29-22)17-27-10-3-11-28(13-12-27)23-25-8-2-9-26-23/h1-2,4-9,14-16H,3,10-13,17H2